Details of the Drug

General Information of Drug (ID: DMXG3T1)

Drug Name
GS-6637
Indication
Disease Entry ICD 11 Status REF
Substance use disorder 6C4Z Phase 1 [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 125.96
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C6H11BO2
IUPAC Name
cyclohexen-1-ylboronic acid
Canonical SMILES
B(C1=CCCCC1)(O)O
InChI
InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChIKey
XZWQKJXJNKYMAP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3862902
CAS Number
89490-05-1
TTD ID
D00IXN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mitochondrial aldehyde dehydrogenase (ALDH2) TTFLN4T ALDH2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800040688)
2 Clinical pipeline report, company report or official report of Gilead.