Details of the Drug

General Information of Drug (ID: DM3EZ68)

Drug Name
Y-23684
Synonyms 2-(4-Chlorophenyl)-2,3,5,6-tetrahydro[1]benzothiepino[5,4-c]pyridazin-3-one 7-oxide
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 356.8
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H13ClN2O2S
IUPAC Name
2-(4-chlorophenyl)-7-oxo-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one
Canonical SMILES
C1CS(=O)C2=CC=CC=C2C3=NN(C(=O)C=C31)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN2O2S/c19-13-5-7-14(8-6-13)21-17(22)11-12-9-10-24(23)16-4-2-1-3-15(16)18(12)20-21/h1-8,11H,9-10H2
InChIKey
WHMCSFWQVGJBGM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
195253
ChEBI ID
CHEBI:79404
CAS Number
118288-67-8
TTD ID
D0C9JL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor gamma-3 (GABRG3) TTEX6LM GBRG3_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The pharmacological properties of Y-23684, a benzodiazepine receptor partial agonist.. Br J Pharmacol. 1994 April; 111(4): 1170-1178.
2 The pharmacological properties of Y-23684, a benzodiazepine receptor partial agonist. Br J Pharmacol. 1994 Apr;111(4):1170-8.