Details of the Drug

General Information of Drug (ID: DMX4B36)

• Drug Name: RO-147437
• Synonyms: Ro-14-7437; CHEMBL267665; 78756-03-3; 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-, ethyl ester; Ro 14-7437; RO-147437; AC1L2SAK; AC1Q6FI4; SCHEMBL7327790; CTK8D4431; HNGRWUCKESPKRC-UHFFFAOYSA-N; BDBM50034831; ethyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; ethyl 5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]-benzodiazepine-3-carboxylate; ethyl 5,6-dihydro-5-methyl-6-oxo-4-H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; ethyl 5,6-dihydro-5-methyl-6-oxo-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 285.3
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H15N3O3
  IUPAC Name: ethyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  Canonical SMILES: CCOC(=O)C1=C2CN(C(=O)C3=CC=CC=C3N2C=N1)C
  InChI: InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3
  InChIKey: HNGRWUCKESPKRC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 127597
  CAS Number: 78756-03-3
  TTD ID: D0TJ2L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Synthesis and evaluation of imidazo[1,5-a][1,4]benzodiazepine esters with high affinities and selectivities at "diazepam-insensitive" benzodiazepin... J Med Chem. 1993 Apr 16;36(8):1001-6.