Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GLY8ABW25V

Structure

InChI Key QDWKGEFGLQMDAM-ULJHMMPZSA-N
Smile CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C
InChI
InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H33N5O2S
Molecular Weight 539.71
AlogP 5.99
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 90.12
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 39.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastrointestinal Stromal Tumors 2 D046152 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Cholangiocarcinoma 2 D018281 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707349
DrugBank DB14866
FDA SRS GLY8ABW25V
PubChem 25190990
SureChEMBL SCHEMBL13028337