Details of the Drug

General Information of Drug (ID: DMAJ6BW)

• Drug Name: RO-145975
• Synonyms: RO-145975; AC1LDOU9; CHEMBL269705; GXXNSEYTZVNYNW-UHFFFAOYSA-N; Ro-14-5975; Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 7-chloro-9-oxo-11,12,13,13a-tetrahydro, ethyl ester; Ethyl 7-chloro-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate #

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); 345.8
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H16ClN3O3
  IUPAC Name: ethyl 15-chloro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
  Canonical SMILES: CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)Cl
  InChI: InChI=1S/C17H16ClN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3
  InChIKey: GXXNSEYTZVNYNW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 623268
  TTD ID: D0Q8UV

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.