Details of the Drug

General Information of Drug (ID: DMLU6VM)

Drug Name
HZ-166
Synonyms Benzodiazepine derivatives (neuropathic pain); Benzodiazepine derivatives (neuropathic pain), Addiction Therapeutix
Indication
Disease Entry ICD 11 Status REF
Neuropathic pain 8E43.0 Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 356.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H16N4O2
IUPAC Name
ethyl 8-ethynyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Canonical SMILES
CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=N4
InChI
InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3
InChIKey
ZSEDMNMFODMQRD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10309028
ChEBI ID
CHEMBL475022
TTD ID
D06SAT
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
GABA(A) receptor gamma-3 (GABRG3) TTEX6LM GBRG3_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 415).