Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 31M3WLJ3KG

Structure

InChI Key KVCQTKNUUQOELD-UHFFFAOYSA-N
Smile Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
InChI
InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H16ClFN6OS
Molecular Weight 478.94
AlogP 5.92
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 105.82
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR RAF serine/threonine protein kinase inhibitor Other Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3977543
FDA SRS 31M3WLJ3KG
PDB V1Y
SureChEMBL SCHEMBL15066408