General Information of Drug (ID: DMRMSU5)

Drug Name
6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one
Synonyms
CHEMBL17516; 119924-94-6; 3,4-dihydro-6-(1H-imidazol-1-yl)quinolin-2(1H)-one; 2(1H)-Quinolinone, 3,4-dihydro-6-(1H-imidazol-1-yl)-; ACMC-20momi; 6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one; SCHEMBL10463333; CTK0F9353; DTXSID20551867; BDMKPUAZENLRDY-UHFFFAOYSA-N; BDBM50000309; 6-(imidazol-1-yl)-3,4-dihydrocarbostyril
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 (mw) 213.23
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H11N3O
IUPAC Name
6-imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one
Canonical SMILES
C1CC(=O)NC2=C1C=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C12H11N3O/c16-12-4-1-9-7-10(2-3-11(9)14-12)15-6-5-13-8-15/h2-3,5-8H,1,4H2,(H,14,16)
InChIKey
BDMKPUAZENLRDY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13885278
CAS Number
119924-94-6
TTD ID
D04KDB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 3A (PDE3A) TT06AWU PDE3A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 3A (PDE3A) DTT PDE3A 3.33E-01 1.35E-02 0.14
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3,4-Dihydroquinolin-2(1H)-ones as combined inhibitors of thromboxane A2 synthase and cAMP phosphodiesterase. J Med Chem. 1992 Feb 21;35(4):620-8.