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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL130416
TTD ID
D0H4GQ
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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]
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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.