Details of the Drug

General Information of Drug (ID: DMKUVZO)

Drug Name
ICI-170809
Synonyms ZM-170809
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 373
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C21H25ClN2S
IUPAC Name
N,N,2-trimethyl-1-(3-phenylquinolin-2-yl)sulfanylpropan-2-amine;hydrochloride
Canonical SMILES
CC(C)(CSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3)N(C)C.Cl
InChI
InChI=1S/C21H24N2S.ClH/c1-21(2,23(3)4)15-24-20-18(16-10-6-5-7-11-16)14-17-12-8-9-13-19(17)22-20;/h5-14H,15H2,1-4H3;1H
InChIKey
HVIXPSLXHVWFAU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9885848
CAS Number
85275-49-6
TTD ID
D00EBH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2 receptor (5HT2R) TTYSN63 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 800001766)
2 5-HT2 receptor blockade by ICI 170,809 does not affect the inhibitory effect of the 5-HT1A receptor ligand gepirone on neuroleptic-induced catalepsy. Braz J Med Biol Res. 1994 Oct;27(10):2437-41.