Details of the Drug

General Information of Drug (ID: DM4RKDU)

Drug Name
GK-128
Indication
Disease Entry ICD 11 Status REF
Vomiting MD90 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 342.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C18H15ClN2OS
IUPAC Name
2-[(2-methylimidazol-1-yl)methyl]benzo[f]thiochromen-1-one;hydrochloride
Canonical SMILES
CC1=NC=CN1CC2=CSC3=C(C2=O)C4=CC=CC=C4C=C3.Cl
InChI
InChI=1S/C18H14N2OS.ClH/c1-12-19-8-9-20(12)10-14-11-22-16-7-6-13-4-2-3-5-15(13)17(16)18(14)21;/h2-9,11H,10H2,1H3;1H
InChIKey
DBXKJORICFHAQA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
178063
CAS Number
162413-52-7
TTD ID
D0Y5QO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [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 800002051)
2 Effect of a novel 5-hydroxytryptamine3 (5-HT3) receptor antagonist, GK-128, on 5-HT3 receptors mediating contractions and relaxations in guinea-pig distal colon. Gen Pharmacol. 1997 Sep;29(3):353-9.