Details of the Drug

General Information of Drug (ID: DM5AOI3)

Drug Name
GSK2643943A
Synonyms 2449301-27-1; EX-A4538; s6878; HY-111458; CS-0041056
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 277.29
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H12FN3
IUPAC Name
2-amino-6-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indole-3-carbonitrile
Canonical SMILES
C1=CC(=CC(=C1)F)/C=C/C2=CC3=C(C=C2)C(=C(N3)N)C#N
InChI
InChI=1S/C17H12FN3/c18-13-3-1-2-11(8-13)4-5-12-6-7-14-15(10-19)17(20)21-16(14)9-12/h1-9,21H,20H2/b5-4+
InChIKey
CGXBPMZRTMXEIA-SNAWJCMRSA-N
Cross-matching ID
PubChem CID
137319705
ChEBI ID
CHEMBL5723368
TTD ID
DAD9V4
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ubiquitin carboxyl-terminal hydrolase 20 (USP20) TT07QDI UBP20_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Deubiquitylating enzymes and drug discovery: emerging opportunities. Nat Rev Drug Discov. 2018 Jan;17(1):57-78.