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Thiotepa

drug
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Also known as NSC-6396TepadinaTepyluteThioplexThiotepa riemserTiotepathio-TPEATriethylenethiophosphoramide (thiotepa)SID26748780SID26753739Thio-tepaSID57260086SID124891834SID72371SID144204952SID1442140261,1',1''-phosphorothioyltriaziridine

Summary

Thiotepa (CHEMBL671) is an approved small molecule (ATC L01AC01) targeting CYP2B6; indicated across 52 conditions including neoplasm and hodgkins lymphoma.

At a glance

  • Status: Approved (max clinical phase 4)
  • Modality: Small molecule
  • ATC class: L01AC01
  • Targets: 1 (CYP2B6)
  • Indications: 52 conditions
  • Clinical trials: 217
  • Chemistry: 189.22 Da · C6H12N3PS

Identifiers

Drug identity and classification

FieldValue
ChEMBL IDCHEMBL671
NameThiotepa
TypeSmall molecule
Max phase4
FDA approvedyes
PubChem CID5453
ATCL01AC01
Molecular formulaC6H12N3PS
Molecular weight189.22
InChIKeyFOCVUCIESVLUNU-UHFFFAOYSA-N

SMILES: C1CN1P(=S)(N2CC2)N3CC3

IUPAC name: tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane

Also known as: NSC-6396, Tepadina, Tepylute, Thioplex, Thiotepa, Thiotepa riemser, Tiotepa, thio-TPEA, Triethylenethiophosphoramide (thiotepa), SID26748780, SID26753739, Thio-tepa

Patent coverage: 29,357 distinct patent families (117,334 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

GeneTargetActionpAffinityCancer dependencyUniProt
CYP2B6CYP2B6Inhibition5.320.1%P20813

Broader ChEMBL bioactivity targets: 27 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Survival motor neuron protein, Prelamin-A/C, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 5-hydroxytryptamine receptor 2B, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Alpha-2B adrenergic receptor, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M1.

Bioactivity

ChEMBL activities: 19 potent at pChembl ≥ 5 of 30 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

TargetpChemblTypeValueUnitActivity ID
SLC6A48.15AC507.1nMCHEMBL_ACT_25149928
SLC6A27.75AC5018nMCHEMBL_ACT_25144589
ADRA1A7.36AC5044nMCHEMBL_ACT_25217782
HRH17.2AC5063nMCHEMBL_ACT_25212087
CHRM16.41AC50390nMCHEMBL_ACT_25135026
CHRM26.24AC50570nMCHEMBL_ACT_25213340
HTR2B5.8AC501600nMCHEMBL_ACT_25227131
CYP2B65.66Ki2200nMCHEMBL_ACT_6075027
HBB5.6Potency2512nMCHEMBL_ACT_4537511
ADRA2B5.46AC503500nMCHEMBL_ACT_25143290
CYP2B65.42Ki3800nMCHEMBL_ACT_6075025
HTR2A5.39AC504100nMCHEMBL_ACT_25224788
ADRA2C5.36AC504400nMCHEMBL_ACT_25147453
HTR2C5.03AC509400nMCHEMBL_ACT_25131397
CHRM35.03AC509300nMCHEMBL_ACT_25136288
KCNH25.02AC509600nMCHEMBL_ACT_25117242
DRD35AC509900nMCHEMBL_ACT_25193115
LMNA5Potency10000nMCHEMBL_ACT_3650458
HPGD5Potency10000nMCHEMBL_ACT_4768791

Target pathways

Aggregated over 1 target gene(s): CYP2B6.

Top Reactome pathways

4 total, by targets touching each:

PathwayTargetsGenes
Fatty acids1CYP2B6
Phase I - Functionalization of compounds1CYP2B6
Xenobiotics1CYP2B6
CYP2E1 reactions1CYP2B6

Dominant GO biological processes

GO termTargets
xenobiotic metabolic process1
steroid metabolic process1
epoxygenase P450 pathway1
xenobiotic catabolic process1
ketone metabolic process1
lipid metabolic process1
small molecule metabolic process1

Indications & clinical

Indications

52 indications (6 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

IndicationTrial phaseMONDOEFO
neoplasm4MONDO:0005070EFO:0000616
Hodgkins lymphoma4MONDO:0004952EFO:0000183
adenocarcinoma4MONDO:0004970EFO:0000228
carcinoma4MONDO:0004993EFO:0000313
acute lymphoblastic leukemia3MONDO:0004967EFO:0000220
breast carcinoma3MONDO:0004989EFO:0000305
leukemia3MONDO:0005059EFO:0000565
neuroblastoma3MONDO:0005072EFO:0000621
medulloblastoma3MONDO:0007959EFO:0002939
brain neoplasm3MONDO:0021211EFO:0003833
primitive neuroectodermal tumor3MONDO:0005462EFO:0005235
ganglioneuroblastoma3MONDO:0005035EFO:0000502
central nervous system neoplasm3MONDO:0006130EFO:1000158
breast neoplasm3MONDO:0021100MONDO:0007254
graft versus host disease3MONDO:0013730MONDO:0013730
retinoblastoma3MONDO:0008380MONDO:0008380
osteosarcoma2MONDO:0009807EFO:0000637
myelodysplastic syndrome2MONDO:0018881EFO:0000198
acute myeloid leukemia2MONDO:0018874EFO:0000222
central nervous system cancer2MONDO:0002714EFO:0000326
chronic myeloid leukemia2MONDO:0011996EFO:0000339
diffuse large B-cell lymphoma2MONDO:0018905EFO:0000403
lymphoma2MONDO:0005062EFO:0000574
sarcoma2MONDO:0005089EFO:0000691
plasma cell myeloma2MONDO:0009693EFO:0001378
lymphoid neoplasm2MONDO:0005157EFO:0001642
male breast carcinoma2MONDO:0005628EFO:0006861
inflammatory breast carcinoma2MONDO:0006804EFO:1000984
soft tissue sarcoma2MONDO:0018078EFO:1001968
hematologic disorder2MONDO:0005570EFO:0005803
myeloproliferative neoplasm2MONDO:0020076EFO:0002428
primary myelofibrosis2MONDO:0009692MONDO:0044903
sickle cell disease2MONDO:0011382MONDO:0011382
plasma cell neoplasm2MONDO:0004959EFO:0000200
peripheral T-cell lymphoma, not otherwise specified2MONDO:0004964EFO:0000211
hematopoietic and lymphoid system neoplasm2MONDO:0002334MONDO:0044881
Crohn disease1MONDO:0005011EFO:0000384
anemia1MONDO:0002280EFO:0004272
peritoneal neoplasm1MONDO:0006901MONDO:0002087
fallopian tube neoplasm1MONDO:0021092MONDO:0002158
kidney cancer1MONDO:0002367MONDO:0002367
ovarian cancer1MONDO:0008170MONDO:0008170
chordoma1MONDO:0008978MONDO:0008978
Wiskott-Aldrich syndrome1MONDO:0010518MONDO:0010518
severe combined immunodeficiency1MONDO:0015974MONDO:0015974
immune system disorder1MONDO:0005046EFO:0000540
neuroepithelial neoplasm0MONDO:0021193MONDO:0021193

5 further indication records had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 217.

Phase distribution

PhaseTrials
PHASE2121
PHASE130
PHASE321
PHASE1/PHASE221
Not specified12
PHASE2/PHASE38
EARLY_PHASE13
PHASE41

Top trials by phase / activity

NCTPhaseStatusTitle
NCT00003398PHASE4COMPLETEDBone Marrow Transplantation in Treating Patients With Hematologic Cancer
NCT01057069PHASE2/PHASE3ACTIVE_NOT_RECRUITINGNeo Adjuvant Chemotherapy in Triple Negative Breast Cancer
NCT01949129PHASE2/PHASE3RECRUITINGAllogeneic Stem Cell Transplantation for Children and Adolescents With Acute Lymphoblastic Leukaemia
NCT03126916PHASE3RECRUITINGTesting the Addition of 131I-MIBG or Lorlatinib to Intensive Therapy in People With High-Risk Neuroblastoma (NBL)
NCT04217278PHASE2/PHASE3ACTIVE_NOT_RECRUITINGA Trial of Treatments to Assess the Effects on Outcome of Adults With AML and MDS Undergoing Allogeneic SCT
NCT04221035PHASE3RECRUITINGHigh-Risk Neuroblastoma Study 2 of SIOP-Europa-Neuroblastoma (SIOPEN)
NCT04708054PHASE2/PHASE3RECRUITINGVenetoclax to Improve Outcomes of Fractionated Busulfan Regimen in Patients With High-Risk AML and MDS
NCT05457556PHASE3ACTIVE_NOT_RECRUITINGMismatched Related Donor Versus Matched Unrelated Donor Stem Cell Transplantation for Children, Adolescents, and Young Adults With Acute Leukemia or Myelodysplastic Syndrome
NCT06172296PHASE3RECRUITINGDinutuximab With Chemotherapy, Surgery and Stem Cell Transplantation for the Treatment of Children With Newly Diagnosed High Risk Neuroblastoma
NCT00002534PHASE3COMPLETEDBone Marrow Transplantation in Treating Patients With Acute Leukemia in First or Second Remission
NCT00002755PHASE3COMPLETEDStandard Chemotherapy Compared With High-Dose Combination Chemotherapy and Peripheral Stem Cell Transplantation in Treating Women With Breast Cancer
NCT00002772PHASE3TERMINATEDS9623, Combination Chemotherapy Plus Peripheral Stem Cell Transplantation in Treating Women With Breast Cancer
NCT00002836PHASE3COMPLETEDFilgrastim Plus Chemotherapy Compared With Filgrastim Alone In Treating Women Undergoing Peripheral Stem Cell Transplantation For Breast Cancer
NCT00002870PHASE3COMPLETEDHigh Dose Chemotherapy Plus Peripheral Stem Cell Transplantation Compared With Standard Therapy in Treating Women With Locally Recurrent or Metastatic Breast Cancer
NCT00003680PHASE3UNKNOWNStandard Chemotherapy Compared With High-Dose Chemotherapy Plus Peripheral Stem Cell Transplant in Treating Women With Advanced or Inflammatory Breast Cancer
NCT00003816PHASE2/PHASE3COMPLETEDCombination Chemotherapy and Donor Stem Cell Transplant in Treating Patients With Aplastic Anemia or Hematologic Cancer
NCT00003972PHASE3COMPLETEDCombination Chemotherapy and Peripheral Stem Cell Transplantation in Treating Patients With Stage II or Stage IIIA Breast Cancer
NCT00008203PHASE3COMPLETEDComparison of Biological Therapies Following Combination Chemotherapy and Bone Marrow or Peripheral Stem Cell Transplantation in Women With Stage II or Stage III Breast Cancer
NCT00078988PHASE3COMPLETEDHigh-Dose Chemotherapy Plus Autologous Stem Cell Transplantation Compared With Intermediate-Dose Chemotherapy Plus Autologous Stem Cell Transplantation With or Without Isotretinoin in Treating Young Patients With Recurrent High-Grade Gliomas
NCT00336024PHASE3COMPLETEDCombination Chemotherapy Followed By Peripheral Stem Cell Transplant in Treating Young Patients With Newly Diagnosed Supratentorial Primitive Neuroectodermal Tumors or High-Risk Medulloblastoma
NCT00382109PHASE3COMPLETEDTacrolimus and Methotrexate With or Without Sirolimus in Preventing Graft-Versus-Host Disease in Young Patients Undergoing Donor Stem Cell Transplant for Acute Lymphoblastic Leukemia in Complete Remission
NCT00392886PHASE3UNKNOWNCombination Chemotherapy With or Without Etoposide Followed By an Autologous Stem Cell Transplant in Treating Young Patients With Previously Untreated Malignant Brain Tumors
NCT00448266PHASE2/PHASE3TERMINATEDIntensified IAA With PBPC Support in Breast Tumors With Evidence of a HRD
NCT00554788PHASE3COMPLETEDCombination Chemotherapy, Autologous Stem Cell Transplant, and/or Radiation Therapy in Treating Young Patients With Extraocular Retinoblastoma
NCT00567567PHASE3COMPLETEDComparing Two Different Myeloablation Therapies in Treating Young Patients Who Are Undergoing a Stem Cell Transplant for High-Risk Neuroblastoma
NCT00653068PHASE3COMPLETEDCombination Chemotherapy, Radiation Therapy, and an Autologous Peripheral Blood Stem Cell Transplant in Treating Young Patients With Atypical Teratoid/Rhabdoid Tumor of the Central Nervous System
NCT00749723PHASE2/PHASE3COMPLETEDTherapy Optimization Trial for the Treatment of Relapsed or Refractory Brain Tumors in Children
NCT01423500PHASE3UNKNOWNALL-SCT BFM International- HSCT in Children and Adolescents With ALL
NCT01423747PHASE3UNKNOWNAllogeneic Stem Cell Transplantation in Children and Adolescents With Acute Lymphoblastic Leukaemia
NCT02707393PHASE2/PHASE3COMPLETEDAllogeneic Stem Cell Transplantation for Children With CML
NCT00692939PHASE1/PHASE2RECRUITINGAutologous Stem Cell Transplantation for Crohn’s Disease
NCT01511562PHASE2ACTIVE_NOT_RECRUITINGCombination Chemotherapy With or Without Autologous Stem Cell Transplant in Treating Patients With Central Nervous System B-Cell Lymphoma
NCT01746849PHASE2ACTIVE_NOT_RECRUITINGPalifermin With Leuprolide Acetate for the Promotion of Immune Recovery Following Total Body Irradiation Based T-Cell Depleted Allogeneic Hematopoietic Stem Cell Transplantation
NCT01962415PHASE2RECRUITINGReduced Intensity Conditioning for Non-Malignant Disorders Undergoing UCBT, BMT or PBSCT
NCT02061800PHASE1/PHASE2ACTIVE_NOT_RECRUITINGCD34+ (Malignant) Stem Cell Selection for Patients Receiving Allogenic Stem Cell Transplant
NCT02605421PHASE2RECRUITINGMyeloablative Consolidation Therapy and Tandem Autologous Stem Cell Rescue in Patients With High-Risk Neuroblastoma
NCT02790515PHASE2ACTIVE_NOT_RECRUITINGProvision of TCRγδ T Cells and Memory T Cells Plus Selected Use of Blinatumomab in Naïve T-cell Depleted Haploidentical Donor Hematopoietic Cell Transplantation for Hematologic Malignancies Relapsed or Refractory Despite Prior Transplantation
NCT02861417PHASE2ACTIVE_NOT_RECRUITINGBusulfan, Fludarabine Phosphate, and Post-Transplant Cyclophosphamide in Treating Patients With Blood Cancer Undergoing Donor Stem Cell Transplant
NCT02870907PHASE2ACTIVE_NOT_RECRUITINGAdjuvant Treatment in Extensive Unilateral Retinoblastoma Primary Enucleated (RB SFCE 2009)
NCT03399773PHASE2ACTIVE_NOT_RECRUITINGInfusion of Expanded Cord Blood Cells in Addition to Single Cord Blood Transplant in Treating Patients With Acute Leukemia, Chronic Myeloid Leukemia, or Myelodysplastic Syndromes

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

44 molecules share ≥1 primary target. Top 44 by shared-target count:

MoleculeSourceStatusShared targets
MAVACAMTENChEMBL + PubChemPhase 4 (approved)CYP2B6
RIFAMPINChEMBL + PubChemPhase 4 (approved)CYP2B6
CANNABIDIOLChEMBLPhase 4 (approved)CYP2B6
CLOPIDOGRELChEMBLPhase 4 (approved)CYP2B6
ESTRADIOLChEMBLPhase 4 (approved)CYP2B6
ETHINYL ESTRADIOLChEMBLPhase 4 (approved)CYP2B6
IBRUTINIBChEMBLPhase 4 (approved)CYP2B6
METHADONEChEMBLPhase 4 (approved)CYP2B6
PAZOPANIBChEMBLPhase 4 (approved)CYP2B6
RITONAVIRChEMBLPhase 4 (approved)CYP2B6
SERTRALINEChEMBLPhase 4 (approved)CYP2B6
TAMOXIFENChEMBLPhase 4 (approved)CYP2B6
TICLOPIDINEChEMBLPhase 4 (approved)CYP2B6
TRANYLCYPROMINEChEMBLPhase 4 (approved)CYP2B6
VORICONAZOLEChEMBLPhase 4 (approved)CYP2B6
ARTEMISININChEMBLPhase 3CYP2B6
CANNABINOLChEMBLPhase 3CYP2B6
CURCUMINChEMBLPhase 3CYP2B6
TEMSAVIRChEMBL + PubChemPhase 2 (approved)CYP2B6
APINOCALTAMIDEChEMBLPhase 2CYP2B6
CANNABIDIVARINChEMBLPhase 2CYP2B6
DARIGABATChEMBLPhase 2CYP2B6
FISOGATINIBChEMBLPhase 2CYP2B6
INE-963ChEMBLPhase 2CYP2B6
MK-0893ChEMBLPhase 2CYP2B6
PHENCYCLIDINEChEMBLPhase 2CYP2B6
UDIFITIMODChEMBLPhase 2CYP2B6
AbirateronePubChemApprovedCYP2B6
AprepitantPubChemApprovedCYP2B6
BelzutifanPubChemApprovedCYP2B6
CenobamatePubChemApprovedCYP2B6
ClozapinePubChemApprovedCYP2B6
ErythromycinPubChemApprovedCYP2B6
ImatinibPubChemApprovedCYP2B6
MethimazolePubChemApprovedCYP2B6
OlanzapinePubChemApprovedCYP2B6
OlmesartanPubChemApprovedCYP2B6
OritavancinPubChemApprovedCYP2B6
PimozidePubChemApprovedCYP2B6
SafinamidePubChemApprovedCYP2B6
saxagliptinPubChemApprovedCYP2B6
TecovirimatPubChemApprovedCYP2B6
VorapaxarPubChemApprovedCYP2B6
ZanubrutinibPubChemApprovedCYP2B6

About this page

Generated deterministically by Sugi Atlas from primary biomedical databases via BioBTree. Every record on this page traces to a primary source.

Generated
Atlas version
v1.1.2
BioBTree
v2.0.2

Sources 30

This page pulls from 30 datasets indexed by BioBTree:

chebichembl_activitychembl_moleculechembl_targetcivic_evidenceclingen_dosageclinical_trialsdepmapefoensemblentrezgogoparentgtopdbgtopdb_interactiongtopdb_ligandhgncmeshmondomsigdbpatent_compoundpharmgkbpharmgkb_guidelinepubchempubchem_activityreactomereactomeparentrefseqtranscriptuniprot