Details of the Drug

General Information of Drug (ID: DMGUX16)

• Drug Name: RY-066
• Synonyms: RY-066; CHEMBL130416; BDBM50067419; ethyl 9-oxo-7-(2-trimethylsilyl-1-ethynyl)-(12aS)-12,12a-dihydro-9H,11H-azeto[1,2-a]benzo[e]imidazo[5,1-c][1,4]diazepine-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; 393.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C21H23N3O3Si
  IUPAC Name: ethyl (7S)-11-oxo-14-(2-trimethylsilylethynyl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
  Canonical SMILES: CCOC(=O)C1=C2[C@@H]3CCN3C(=O)C4=C(N2C=N1)C=CC(=C4)C#C[Si](C)(C)C
  InChI: InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3/t17-/m0/s1
  InChIKey: SNBBNIBMHQGUBE-KRWDZBQOSA-N
• Cross-matching ID:
  PubChem CID: 10715591
  TTD ID: D0H4GQ

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 alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_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] Predictive models for GABAA/benzodiazepine receptor subtypes: studies of quantitative structure-activity relationships for imidazobenzodiazepines a... J Med Chem. 1998 Oct 8;41(21):4130-42.