Details of the Drug

General Information of Drug (ID: DMDPJ8M)

Drug Name
BMY-20844
Synonyms
Bmy-20844; 124886-01-7; UNII-ALR3F45M10; CHEMBL88583; ALR3F45M10; 1,3-Dihydro-7,8-dimethyl-2H-imidazo(4,5-b)quinolin-2-one; 1,3-dihydro-7,8-dimethyl-2H-imidazo[4,5-b]quinolin-2-one; 2H-Imidazo[4,5-b]quinolin-2-one,1,3-dihydro-7,8-dimethyl-; 2H-Imidazo[4,5-b]quinolin-2-one, 1,3-dihydro-7,8-dimethyl-; 2H-Imidazo(4,5-b)quinolin-2-one, 1,3-dihydro-7,8-dimethyl-; AC1NUPC3; ACMC-1C2JD; SCHEMBL2457579; 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one; CTK4B4100; DTXSID40154516; ODCKPUDNMNCWMR-UHFFFAOYSA-N; BDBM50000925
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) 1.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H11N3O
IUPAC Name
7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
Canonical SMILES
CC1=C(C2=CC3=C(NC(=O)N3)N=C2C=C1)C
InChI
InChI=1S/C12H11N3O/c1-6-3-4-9-8(7(6)2)5-10-11(13-9)15-12(16)14-10/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKey
ODCKPUDNMNCWMR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5487281
ChEBI ID
CHEMBL88583
CAS Number
124886-01-7
TTD ID
D08NXX
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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

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 3A (PDE3A) DTT PDE3A 1.18E-01 0.12 0.48
Phosphodiesterase 3A (PDE3A) DTT PDE3A 6.10E-01 -0.05 -0.16
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References

1 Inhibitors of blood platelet cAMP phosphodiesterase. 3. 1,3-Dihydro-2H-imidazo[4,5-b]quinolin-2-one derivatives with enhanced aqueous solubility. J Med Chem. 1992 Jul 10;35(14):2688-96.