GLESATINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 7Q29OXD98N

Structure
InChI Key YRCHYHRCBXNYNU-UHFFFAOYSA-N
Smile COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1
InChI
InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H27F2N5O3S2
Molecular Weight 619.72
AlogP 6.22
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 97.4
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatocyte growth factor receptor inhibitor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3989914
DrugBank DB06302
FDA SRS 7Q29OXD98N
SureChEMBL SCHEMBL106319
ZINC ZINC000113139653
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