Docetaxel Anhydrous
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Also known as Bind 014Cabazitaxel metabolite (rp56976)CKD-810DocefrezDocetaxel kabiDocetaxel mylanDocetaxel teva pharmaDocetaxel winthropDocetaxelanhydrousNSC-628503Rp56976Taxotere
Summary
Docetaxel Anhydrous (CHEMBL92) is an approved small-molecule antineoplastic agent targeting TUBB; indicated across 7 conditions including head and neck squamous cell carcinoma and adenocarcinoma.
At a glance
- Status: Approved (max clinical phase 4)
- Modality: Small molecule
- Targets: 1 (TUBB)
- Indications: 7 conditions
- Clinical trials: 2,020
- Chemistry: 807.9 Da · C43H53NO14
Identifiers
Drug identity and classification
| Field | Value |
|---|---|
| ChEMBL ID | CHEMBL92 |
| Name | Docetaxel Anhydrous |
| Type | Small molecule |
| Max phase | 4 |
| FDA approved | yes |
| PubChem CID | 148124 |
| ChEBI | CHEBI:4672 |
| Molecular formula | C43H53NO14 |
| Molecular weight | 807.9 |
| InChIKey | ZDZOTLJHXYCWBA-VCVYQWHSSA-N |
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
ChEBI definition: A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.
Pharmacological roles (ChEBI): antineoplastic agent, photosensitizing agent, antimalarial.
Also known as: Bind 014, Cabazitaxel metabolite (rp56976), CKD-810, Docefrez, Docetaxel anhydrous, Docetaxel kabi, Docetaxel mylan, Docetaxel teva pharma, Docetaxel winthrop, Docetaxel, anhydrous, NSC-628503
Parent form; salt/anhydrous children: CHEMBL3545252
Patent coverage: 50,160 distinct patent families (196,686 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).
| Gene | Target | Action | pAffinity | Cancer dependency | UniProt |
|---|---|---|---|---|---|
| TUBB | tubulin beta class I | Inhibition | P07437 |
Broader ChEMBL bioactivity targets: 4 (assay-derived). Sample: Nucleotide-binding oligomerization domain-containing protein 2, Tubulin, Gastrin/cholecystokinin type B receptor, Bile salt export pump.
Bioactivity
ChEMBL activities: 3 potent at pChembl ≥ 5 of 5 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):
| Target | pChembl | Type | Value | Unit | Activity ID |
|---|---|---|---|---|---|
| TUBB4A | 6.7 | IC50 | 200 | nM | CHEMBL_ACT_25828649 |
| TUBB4A | 6.7 | IC50 | 200 | nM | CHEMBL_ACT_25871799 |
| NOD2 | 5.3 | IC50 | 5012 | nM | CHEMBL_ACT_17955931 |
Target pathways
Aggregated over 1 target gene(s): TUBB.
Top Reactome pathways
24 total, by targets touching each:
| Pathway | Targets | Genes |
|---|---|---|
| Cell Cycle | 1 | TUBB |
| Disease | 1 | TUBB |
| Innate Immune System | 1 | TUBB |
| Immune System | 1 | TUBB |
| Organelle biogenesis and maintenance | 1 | TUBB |
| Regulation of PLK1 Activity at G2/M Transition | 1 | TUBB |
| Loss of Nlp from mitotic centrosomes | 1 | TUBB |
| Recruitment of mitotic centrosome proteins and complexes | 1 | TUBB |
| Loss of proteins required for interphase microtubule organization from the centrosome | 1 | TUBB |
| Centrosome maturation | 1 | TUBB |
| Recruitment of NuMA to mitotic centrosomes | 1 | TUBB |
| Mitotic G2-G2/M phases | 1 | TUBB |
| Cilium Assembly | 1 | TUBB |
| Anchoring of the basal body to the plasma membrane | 1 | TUBB |
| Infectious disease | 1 | TUBB |
| Neutrophil degranulation | 1 | TUBB |
| Mitotic Prometaphase | 1 | TUBB |
| M Phase | 1 | TUBB |
| G2/M Transition | 1 | TUBB |
| Cell Cycle, Mitotic | 1 | TUBB |
| AURKA Activation by TPX2 | 1 | TUBB |
| Potential therapeutics for SARS | 1 | TUBB |
| SARS-CoV Infections | 1 | TUBB |
| Viral Infection Pathways | 1 | TUBB |
Dominant GO biological processes
| GO term | Targets |
|---|---|
| microtubule cytoskeleton organization | 1 |
| mitotic cell cycle | 1 |
| microtubule-based process | 1 |
| cytoskeleton-dependent intracellular transport | 1 |
| natural killer cell mediated cytotoxicity | 1 |
| regulation of synapse organization | 1 |
| spindle assembly | 1 |
| cell division | 1 |
| odontoblast differentiation | 1 |
| cytoskeleton organization | 1 |
Indications & clinical
Indications
7 indications (7 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).
| Indication | Trial phase | MONDO | EFO |
|---|---|---|---|
| head and neck squamous cell carcinoma | 4 | MONDO:0010150 | EFO:0000181 |
| adenocarcinoma | 4 | MONDO:0004970 | EFO:0000228 |
| non-small cell lung carcinoma | 4 | MONDO:0005233 | EFO:0003060 |
| breast neoplasm | 4 | MONDO:0021100 | EFO:0003869 |
| gastric neoplasm | 4 | MONDO:0021085 | EFO:0003897 |
| head and neck neoplasm | 4 | MONDO:0005586 | EFO:0005950 |
| prostate cancer | 4 | MONDO:0008315 | MONDO:0008315 |
Clinical trials
Total trials: 2,020.
Phase distribution
(phase/status distribution below is over 1,600 sampled trials of the 2,020 total).
| Phase | Trials |
|---|---|
| PHASE2 | 941 |
| PHASE3 | 425 |
| PHASE1/PHASE2 | 157 |
| PHASE2/PHASE3 | 56 |
| PHASE4 | 21 |
Top trials by phase / activity
| NCT | Phase | Status | Title |
|---|---|---|---|
| NCT05420454 | PHASE4 | RECRUITING | A Study for the Neoadjuvant Treatment of Breast Cancer |
| NCT05420467 | PHASE4 | RECRUITING | A Study for the Adjuvant Treatment of Breast Cancer |
| NCT00127933 | PHASE4 | COMPLETED | XeNA Study - A Study of Xeloda (Capecitabine) in Patients With Invasive Breast Cancer |
| NCT00280098 | PHASE4 | COMPLETED | Docetaxel in the Treatment of Hormone Refractory Prostate Cancer |
| NCT00536107 | PHASE4 | TERMINATED | Study to Assess Safety/Tolerability/Efficacy of Gefitinib Versus Docetaxel in Locally Advanced or Metastatic Non-Small Cell Lung Cancer (NSCLC) |
| NCT00772681 | PHASE4 | COMPLETED | Efficacy of Chemoradiotherapy After Neoadjuvant Cisplatin and Docetaxel in the Nasopharynx Carcinoma |
| NCT00774241 | PHASE4 | WITHDRAWN | PRIMADOS Study:A Study of Avastin (Bevacizumab) Plus Docetaxel for First Line Treatment of Patients With Metastatic Breast Cancer |
| NCT01094184 | PHASE4 | COMPLETED | A Study of Bevacizumab With Taxane Therapy in Participants With Triple Negative Breast Cancer |
| NCT01301729 | PHASE4 | COMPLETED | A Study of Herceptin (Trastuzumab) in Combination With a Taxane in Participants With HER2-Positive Breast Cancer Who Relapsed After (Neo)Adjuvant Herceptin Treatment |
| NCT01442909 | PHASE4 | COMPLETED | Pemetrexed Followed by Docetaxel or in Reverse Sequence |
| NCT02031601 | PHASE4 | UNKNOWN | Intercalated Combination of Chemotherapy and Tyrosine Kinase Inhibitors as First-line Treatment for Patients With Non-Small-Cell Lung Cancer |
| NCT02088515 | PHASE4 | COMPLETED | Nedaplatin (Jiebaishu®) Combined With Docetaxel for Advanced Lung Squamous Cell Carcinoma |
| NCT02419742 | PHASE4 | COMPLETED | Safety and Efficacy of Trastuzumab as Part of Breast Cancer Treatment Regimen |
| NCT02445586 | PHASE4 | COMPLETED | Safety Study of Pertuzumab (in Combination With Trastuzumab and Docetaxel) in Indian Participants With Breast Cancer |
| NCT02484677 | PHASE4 | COMPLETED | Pharmacokinetics and Pharmacogenetics-based Adaptive Dosing of 5-fu (5-Fluorouracile) in Head & Neck Cancer Patient Undergoing Docetaxel, Cisplatin, 5-Fluorouracile (=TPF) Therapy |
| NCT02513342 | PHASE4 | UNKNOWN | Endostar First-line Treatment of Advanced Non-small Cell Lung Squamous Carcinoma |
| NCT02549677 | PHASE4 | COMPLETED | Epirubicin Versus Docetaxel Plus Cyclophosphamide in Lymph Node Negative, ER-positive, Her2-negative Breast Cancer |
| NCT02627248 | PHASE4 | UNKNOWN | Neoadjuvant Chemotherapy With or Without Huaier Granule in Treating Women With Locally Advanced Breast Cancer That Can Be Removed By Surgery |
| NCT03069820 | PHASE4 | UNKNOWN | Clarify of Predictive Risk Factors of Chemotherapy-induced Liver Injury |
| NCT03123770 | PHASE4 | UNKNOWN | Efficacy and Safety of Neoadjuvant DC-T in Breast Cancer Patients |
| NCT03799601 | PHASE4 | UNKNOWN | Docetaxel Combined With Carboplatin Plus Anlotinib as First Line Treatment in NSCLC |
| NCT00268476 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | Systemic Therapy in Advancing or Metastatic Prostate Cancer: Evaluation of Drug Efficacy |
| NCT00430183 | PHASE3 | ACTIVE_NOT_RECRUITING | Surgery With or Without Docetaxel and Leuprolide or Goserelin in Treating Patients With High-Risk Localized Prostate Cancer |
| NCT00565851 | PHASE3 | ACTIVE_NOT_RECRUITING | Carboplatin, Paclitaxel and Gemcitabine Hydrochloride With or Without Bevacizumab After Surgery in Treating Patients With Recurrent Ovarian, Epithelial, Primary Peritoneal, or Fallopian Tube Cancer |
| NCT00588770 | PHASE3 | ACTIVE_NOT_RECRUITING | Chemotherapy With or Without Bevacizumab in Treating Patients With Recurrent or Metastatic Head and Neck Squamous Cell Carcinoma |
| NCT01810913 | PHASE2/PHASE3 | RECRUITING | Testing Docetaxel-Cetuximab or the Addition of an Immunotherapy Drug, Atezolizumab, to the Usual Chemotherapy and Radiation Therapy in High-Risk Head and Neck Cancer |
| NCT01924819 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | Trial of Preoperative Therapy for Gastric and Esophagogastric Junction Adenocarcinoma |
| NCT01933932 | PHASE3 | ACTIVE_NOT_RECRUITING | Assess Efficacy & Safety of Selumetinib in Combination With Docetaxel in Patients Receiving 2nd Line Treatment for v-Ki-ras2 Kirsten Rat Sarcoma Viral Oncogene Homolog (KRAS) Positive NSCLC |
| NCT01935778 | PHASE3 | RECRUITING | Compare Adjuvant Chemotherapy of Docetaxel/Capecitabine/Oxliplatin Versus Capecitabine/Oxaliplatin in Advanced Gastric Cancer at Stage IIIb and IV(KCSG ST15-08): TRIUMPH |
| NCT01957436 | PHASE3 | ACTIVE_NOT_RECRUITING | A Phase III Study for Patients With Metastatic Hormone-naïve Prostate Cancer |
| NCT02344472 | PHASE3 | ACTIVE_NOT_RECRUITING | Detect V / CHEVENDO (Chemo vs. Endo) |
| NCT02486718 | PHASE3 | ACTIVE_NOT_RECRUITING | Study to Assess Safety and Efficacy of Atezolizumab (MPDL3280A) Compared to Best Supportive Care Following Chemotherapy in Patients With Lung Cancer [IMpower010] |
| NCT02509286 | PHASE3 | ACTIVE_NOT_RECRUITING | Perioperative Chemotherapy Compared To Neoadjuvant Chemoradiation in Patients With Adenocarcinoma of the Esophagus |
| NCT02568839 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | Neoadjuvant Response-guided Treatment of HER2 Positive Breast Cancer |
| NCT02641847 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | TA(E)C-GP Versus A(E)C-T for the High Risk TNBC Patients and Validation of the mRNA-lncRNA Signature |
| NCT03178552 | PHASE2/PHASE3 | ACTIVE_NOT_RECRUITING | A Study to Evaluate the Efficacy and Safety of Multiple Targeted Therapies as Treatments for Participants With Non-Small Cell Lung Cancer (NSCLC) |
| NCT03258320 | PHASE2/PHASE3 | RECRUITING | A Randomised Trial of Cabazitaxel, Docetaxel, Mitoxantrone or Satraplatin (CDMS) Plus Surgery for Prostate Cancer Patients |
| NCT03340896 | PHASE3 | ACTIVE_NOT_RECRUITING | Trial of Laryngeal Preservation Comparing Induced CT Followed by RT vs CT Concomitant to RT |
| NCT03390504 | PHASE3 | ACTIVE_NOT_RECRUITING | A Study of Erdafitinib Compared With Vinflunine or Docetaxel or Pembrolizumab in Participants With Advanced Urothelial Cancer and Selected Fibroblast Growth Factor Receptor (FGFR) Gene Aberrations |
| NCT03574571 | PHASE3 | ACTIVE_NOT_RECRUITING | A Study to Test Radium-223 With Docetaxel in Patients With Prostate Cancer |
Clinical evidence (CIViC)
No CIViC predictive evidence (expected for non-precision-medicine drugs).
Pharmacology
Pharmacogenomics
No CPIC/DPWG dosing guideline, but PharmGKB curates 81 clinical and 247 variant annotation(s) for this drug (gene-keyed; see PharmGKB).
Related molecules
Related molecules
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.
17 molecules share ≥1 primary target. Top 17 by shared-target count:
| Molecule | Source | Status | Shared targets |
|---|---|---|---|
| PODOFILOX | ChEMBL + PubChem | Phase 4 (approved) | TUBB |
| VINBLASTINE | ChEMBL + PubChem | Phase 4 (approved) | TUBB |
| COLCHICINE | ChEMBL | Phase 4 (approved) | TUBB |
| LEVOFLOXACIN | ChEMBL | Phase 4 (approved) | TUBB |
| NOSCAPINE | ChEMBL | Phase 4 (approved) | TUBB |
| PACLITAXEL | ChEMBL | Phase 4 (approved) | TUBB |
| TIRBANIBULIN | ChEMBL | Phase 4 (approved) | TUBB |
| VINCRISTINE | ChEMBL | Phase 4 (approved) | TUBB |
| VINORELBINE | ChEMBL | Phase 4 (approved) | TUBB |
| PATUPILONE | ChEMBL | Phase 3 | TUBB |
| ABT-751 | ChEMBL | Phase 2 | TUBB |
| DOLASTATIN-10 | ChEMBL | Phase 2 | TUBB |
| INDIBULIN | ChEMBL | Phase 2 | TUBB |
| MAYTANSINE | ChEMBL | Phase 2 | TUBB |
| MOLIBRESIB | ChEMBL | Phase 2 | TUBB |
| NOCODAZOLE | ChEMBL | Phase 2 | TUBB |
| PARBENDAZOLE | ChEMBL | Phase 2 | TUBB |
Related Atlas pages
- Genes: TUBB
- Diseases: head and neck squamous cell carcinoma, adenocarcinoma, non-small cell lung carcinoma, breast neoplasm, gastric neoplasm, head and neck neoplasm, prostate cancer
- Drugs: Podofilox, Vinblastine, Colchicine, Levofloxacin, Noscapine, Paclitaxel, Tirbanibulin, Vincristine, Vinorelbine, Patupilone
- Biomarker genes: CXCR4, DEFA1, GAS6