Details of the Drug

General Information of Drug (ID: DM98K76)

Drug Name
Siguazodan
Synonyms SKF-94836
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.32
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H16N6O
IUPAC Name
1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
Canonical SMILES
CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=NC)NC#N
InChI
InChI=1S/C14H16N6O/c1-9-7-12(21)19-20-13(9)10-3-5-11(6-4-10)18-14(16-2)17-8-15/h3-6,9H,7H2,1-2H3,(H,19,21)(H2,16,17,18)
InChIKey
NUHPODZZKHQQET-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72124
ChEBI ID
CHEBI:91791
CAS Number
115344-47-3
TTD ID
D0Q7VI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 3 (PDE3) TTZCG4L NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000375)
2 Cyclic-AMP-dependent proliferation of a human osteoblast cell line (HOS cells) induced by hydroxyapatite: effect of exogenous nitric oxide. Acta Biomed. 2008 Aug;79(2):110-6.