Details of the Drug

General Information of Drug (ID: DMNURE0)

Drug Name
TETRAHYDROBENXIMIDAZOLE
Synonyms CHEMBL282765; TETRAHYDROBENXIMIDAZOLE; SCHEMBL10625034; KDEKNYKHIZTSLE-UHFFFAOYSA-N; BDBM50016839; 4,5-dihydro-6-[4-(4,5,6,7-tetrahydro-1H-benzimidazol-1-yl)phenyl]-5-methyl-3(2H)-pyridazinone
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) 308.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H20N4O
IUPAC Name
4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
Canonical SMILES
CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=NC4=C3CCCC4
InChI
InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
InChIKey
KDEKNYKHIZTSLE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14032753
TTD ID
D00YPO

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 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.