Simotinib

Summary

Simotinib (CHEMBL3545235) is a phase-3 clinical-stage small molecule; indicated across 1 condition including non-small cell lung carcinoma.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• Indications: 1 condition
• Clinical trials: 2
• Chemistry: 500.9 Da · C25H26ClFN4O4

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL3545235
Name	Simotinib
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	16735117
Molecular formula	C25H26ClFN4O4
Molecular weight	500.9
InChIKey	OXWUWXCJDBRCCG-UHFFFAOYSA-N

SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCN4CC5(CC5)C6(C4)OCCO6

IUPAC name: N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine

Also known as: Sim-6802, Simotinib, SIMOTINIB

Patent coverage: 57 distinct patent families (108 SureChEMBL compound mentions), from 3 matched compound structure(s). One matched structure accounts for 102 (94%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

No target linkage available.

Bioactivity

No ChEMBL bioactivity rows at pChembl ≥ 5 (expected for biologics / antibodies).

Target pathways

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

Indications & clinical

Indications

1 disease 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
non-small cell lung carcinoma	1	MONDO:0005233	EFO:0003060

Clinical trials

Total trials: 2.

Phase distribution

Phase	Trials
PHASE1	2

Top trials by phase / activity

NCT	Phase	Status	Title
NCT01469910	PHASE1	COMPLETED	Safety, Tolerability, and Pharmacokinetics of Single Ascending Doses of Simotinib Hydrochloride in Healthy Subjects
NCT01772732	PHASE1	UNKNOWN	Safety, Tolerability, and Pharmacokinetics of Multiple Ascending Doses of Simotinib Hydrochloride in Patients With Advanced NSCLC

Clinical evidence (CIViC)

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

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

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