Details of the Drug

General Information of Drug (ID: DMADPQX)

Drug Name
CI-930
Synonyms
CI-930; CI 930; 86798-59-6; 4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone; 3(2H)-Pyridazinone, 4,5-dihydro-6-(4-(1H-imidazol-1-yl)phenyl)-5-methyl-; AC1MIBTH; CHEMBL440593; SCHEMBL6052113; CTK5F7194; BDBM14362; AEZZPAQOEUQNBB-UHFFFAOYSA-N; 90791-23-4 (hydrochloride); BDBM50225945; LS-187480; LS-186812; 6-[4-(1-Imidazolyl)phenyl]-5-methyl-3-oxo-2,3,4,5-tetrahydropyridazine; 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 254.29
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H14N4O
IUPAC Name
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Canonical SMILES
CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C14H14N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-7,9-10H,8H2,1H3,(H,16,19)
InChIKey
AEZZPAQOEUQNBB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3021729
ChEBI ID
CHEMBL440593
CAS Number
86798-59-6
TTD ID
D0BK6B
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Cardiotonic agents. 9. Synthesis and biological evaluation of a series of (E)-4,5-dihydro-6-[2-[4-(1H-imidazol-1-yl)phenyl]ethenyl]-3 (2H)-pyridazi... J Med Chem. 1989 Feb;32(2):342-50.