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

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.