GSK-923295A

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 072702W9QD

Structure
InChI Key WHMXDBPHBVLYRC-OFVILXPXSA-N
Smile CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl
InChI
InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38ClN5O4
Molecular Weight 592.14
AlogP 4.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 108.2
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4303470
EPA CompTox DTXSID50677145
FDA SRS 072702W9QD
SureChEMBL SCHEMBL1492164
ZINC ZINC000068151184
CONTENTS