Details of the Drug

General Information of Drug (ID: DMRW57G)

Drug Name
RS-14491
Synonyms RS-14491; SCHEMBL7364942
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) 348.8
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H13ClN4O
IUPAC Name
8-(3-chlorophenyl)-6-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-one
Canonical SMILES
C1=CC(=CC(=C1)Cl)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=NC=C4
InChI
InChI=1S/C19H13ClN4O/c20-15-4-1-3-14(11-15)17-18-16(5-2-8-22-18)19(25)24(23-17)12-13-6-9-21-10-7-13/h1-11H,12H2
InChIKey
COLQUUDNEIJASV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19700663
TTD ID
D0O3BL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4A (PDE4A) TTZ97H5 PDE4A_HUMAN Inhibitor [1]
Phosphodiesterase 4B (PDE4B) TTVIAT9 PDE4B_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 4A (PDE4A) DTT PDE4A 9.26E-01 -3.01E-03 -0.01
Phosphodiesterase 4B (PDE4B) DTT PDE4B 2.75E-01 -0.13 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel heterocyclic-fused pyridazinones as potent and selective phosphodiesterase IV inhibitors. J Med Chem. 1997 May 9;40(10):1417-21.