Details of the Drug

General Information of Drug (ID: DMWTFO3)

Drug Name
IMAZODAN
Synonyms
IMAZODAN HYDROCHLORIDE; Imazodan HCl; CI-914; UNII-5EP74J9Q34; Imazodan hydrochloride [USAN]; 89198-09-4; 4,5-Dihydro-6-(p-imidazol-1-ylphenyl)-3(2H)-pyridazinone monohydrochloride; 5EP74J9Q34; 4,5-Dihydro-6-(4-(1H-imidazol-1-yl)phenyl)-3(2H)-pyridazinone hydrochloride; Imazodan hydrochloride (USAN); 3(2H)-Pyridazinone, 4,5-dihydro-6-(4-(1H-imidazol-1-yl)phenyl)-, monohydrochloride; 3(2H)-Pyridazinone, 4,5-dihydro-6-(p-(1-imidazolyl)phenyl)-, monohydrochloride; ACMC-20livl; AC1Q3ES0; C13H12N4O.HCl; SCHEMBL124243; AC1L1K29
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 240.26
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H12N4O
IUPAC Name
3-(4-imidazol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
Canonical SMILES
C1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)
InChIKey
VXMYWVMXSWJFCV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
55918
ChEBI ID
CHEMBL12831
CAS Number
84243-58-3
TTD ID
D09UMA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 2A (PDE2A) TTJGW1Z PDE2A_HUMAN Inhibitor [1]
Phosphodiesterase 3A (PDE3A) TT06AWU PDE3A_HUMAN Inhibitor [2]
Phosphodiesterase 5A (PDE5A) TTJ0IQB PDE5A_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 5A (PDE5A) DTT PDE5A 3.24E-05 -0.07 -0.17
Phosphodiesterase 3A (PDE3A) DTT PDE3A 8.06E-01 -0.04 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Cardiotonic agents. 1. 4,5-Dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-3 (2H)-pyridazinones: novel positive inotropic agents for the treatment of conges... J Med Chem. 1984 Sep;27(9):1099-101.
2 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.