Semustine

Summary

Semustine (CHEMBL12948) is a phase-3 clinical-stage small-molecule antineoplastic agent (ATC L01AD03); indicated across 4 conditions including neoplasm and glioblastoma.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• ATC class: L01AD03
• Indications: 4 conditions
• Clinical trials: 5
• Chemistry: 247.72 Da · C10H18ClN3O2

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL12948
Name	Semustine
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	5198
ChEBI	CHEBI:6863
ATC	L01AD03
Molecular formula	C10H18ClN3O2
Molecular weight	247.72
InChIKey	FVLVBPDQNARYJU-UHFFFAOYSA-N

SMILES: CC1CCC(CC1)NC(=O)N(CCCl)N=O

IUPAC name: 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea

ChEBI definition: An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-methylcyclohexyl group.

Pharmacological roles (ChEBI): antineoplastic agent, carcinogenic agent, alkylating agent.

Also known as: ICIG 1110, ICIG-1110, Methyl lomustine, NSC-758471, Semustina, Semustine, SID26748800, SID46500621, SEMUSTINE, SID144204957

Patent coverage: 8,731 distinct patent families (34,954 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

Broader ChEMBL bioactivity targets: 3 (assay-derived). Sample: Survival motor neuron protein, Alpha-2A adrenergic receptor, Aldehyde dehydrogenase 1A1.

Bioactivity

ChEMBL activities: 2 potent at pChembl ≥ 5 of 4 total. Top 100 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
ADRA2A	5.74	Ki	1803	nM	CHEMBL_ACT_7805161
ADRA2A	5.32	IC50	4809	nM	CHEMBL_ACT_7805160

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

4 diseases in clinical trials (phase 1–3, investigational — not approved indications). Highest ChEMBL trial phase per disease; a non-cancer approved use is occasionally logged at phase 3 here.

Disease (in trials)	Phase	MONDO	EFO
neoplasm	3	MONDO:0005070	EFO:0000616
glioblastoma	3	MONDO:0018177	EFO:0000519
graft versus host disease	3	MONDO:0013730	MONDO:0013730
colorectal neoplasm	3	MONDO:0005335	MONDO:0005575

Clinical trials

Total trials: 5.

Phase distribution

Phase	Trials
PHASE3	3
PHASE1	2

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00335075	PHASE3	COMPLETED	Efficacy and Safety of Temodal vs Semustine in Subjects With Recurrent Glioblastoma or Anaplastic Astrocytoma (Study P03644)
NCT00427570	PHASE3	COMPLETED	Fluorouracil, Semustine, and Vincristine Compared With BCG in Treating Patients With Dukes’ B or Dukes’ C Colon Cancer That Has Been Removed By Surgery
NCT04945096	PHASE3	UNKNOWN	Outcomes of Patients After Allo-HSCT With Decitabine and NAC
NCT06809699	PHASE1	RECRUITING	Human Leukocyte Antigen (HLA) Mismatched Related Allogeneic Hematopoietic Stem Cell Transplantation
NCT06809712	PHASE1	RECRUITING	Human Leukocyte Antigen (HLA) Mismatched Unrelated Allogeneic Hematopoietic Stem Cell Transplantation

Clinical evidence (CIViC)

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

Pharmacology

Pharmacogenomics

No CPIC/DPWG dosing guideline or drug-level clinical/variant annotations in PharmGKB for this molecule.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).