Details of the Drug

General Information of Drug (ID: DMNX93E)

Drug Name
SM-19712
Synonyms GTPL5272; sodium 1-[(4-chlorobenzene)sulfonyl]-3-(4-cyano-3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 437.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C18H13ClN5NaO3S
IUPAC Name
sodium;(4-chlorophenyl)sulfonyl-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)carbamoyl]azanide
Canonical SMILES
CC1=NN(C(=C1C#N)NC(=O)[N-]S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3.[Na+]
InChI
InChI=1S/C18H14ClN5O3S.Na/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15;/h2-10H,1H3,(H2,21,22,23,25);/q;+1/p-1
InChIKey
FBSZSOXTWRKLKD-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
17757228
TTD ID
D0M3JI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endothelin-converting enzyme (ECE) TT1BGDH NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5272).
2 Protective effect of SM-19712, a novel and potent endothelin converting enzyme inhibitor, on ischemic acute renal failure in rats. Jpn J Pharmacol. 2000 Sep;84(1):16-24.