Details of the Drug

General Information of Drug (ID: DMWMRO2)

Drug Name
JM-1232(-)
Synonyms Sedative, Maruishi; Benzodiazepine agonist (sedation), Maruishi
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 389.5
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C24H27N3O2
IUPAC Name
(3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-3,5,6,7-tetrahydrocyclopenta[f]isoindol-1-one
Canonical SMILES
CN1CCN(CC1)C(=O)C[C@@H]2C3=C(C=C4CCCC4=C3)C(=O)N2C5=CC=CC=C5
InChI
InChI=1S/C24H27N3O2/c1-25-10-12-26(13-11-25)23(28)16-22-20-14-17-6-5-7-18(17)15-21(20)24(29)27(22)19-8-3-2-4-9-19/h2-4,8-9,14-15,22H,5-7,10-13,16H2,1H3/t22-/m1/s1
InChIKey
MBGOHVUPIPFVMM-JOCHJYFZSA-N
Cross-matching ID
PubChem CID
17755150
CAS Number
1013427-48-9
TTD ID
D01VNL

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 Agonist [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).