Details of the Drug

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
ChEBI ID
CHEMBL17516
CAS Number
119924-94-6
TTD ID
D04KDB
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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]
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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
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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.