Details of the Drug

General Information of Drug (ID: DMZYGW0)

Drug Name

SM-10661

Synonyms

SM-12502; SM-10661 (racemate); Rac-cis-3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one hydrochloride; (+)-cis-(2R,5S)-3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Sepsis	1G40-1G41	Discontinued in Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

244.74

Topological Polar Surface Area

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C10H13ClN2OS
IUPAC Name: (2R,5S)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one;hydrochloride
Canonical SMILES: C[C@H]1C(=O)N([C@H](S1)C2=CN=CC=C2)C.Cl
InChI: InChI=1S/C10H12N2OS.ClH/c1-7-9(13)12(2)10(14-7)8-4-3-5-11-6-8;/h3-7,10H,1-2H3;1H/t7-,10+;/m0./s1
InChIKey: CXHDSLQCNYLQND-XQRIHRDZSA-N

Cross-matching ID

PubChem CID: 178014
CAS Number: 158511-47-8
TTD ID: D0U7DI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Antagonist	[2], [3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Sepsis

ICD Disease Classification

1G40-1G41

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

Molecular Expression Atlas (MEA)

MEA Detail

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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 800004382)
2	Effect of the PAF-receptor antagonist SM-12502 on human platelets. Inflammation. 1996 Feb;20(1):71-85.
3	Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43.
6	Amino acid residues critical for endoplasmic reticulum export and trafficking of platelet-activating factor receptor. J Biol Chem. 2010 Feb 19;285(8):5931-40.
7	Anti-inflammatory activities of LDP-392, a dual PAF receptor antagonist and 5-lipoxygenase inhibitor. Pharmacol Res. 2001 Sep;44(3):213-20.
8	Lexipafant and acute pancreatitis: a critical appraisal of the clinical trials.Eur J Surg.2002;168(4):215-9.
9	Effects of YM264, a novel PAF antagonist, on puromycin aminonucleoside-induced nephropathy in the rat. Biochem Biophys Res Commun. 1991 Apr 30;176(2):781-5.
10	The intestinal anti-inflammatory effect of dersalazine sodium is related to a down-regulation in IL-17 production in experimental models of rodent colitis. Br J Pharmacol. 2012 February; 165(3): 729-740.
11	Clinical pipeline report, company report or official report of 60 Degrees Pharmaceuticals.
12	Sch 37370: a new drug combining antagonism of platelet-activating factor (PAF) with antagonism of histamine. Agents Actions Suppl. 1991;34:313-21.
13	Biochemical and pharmacological activities of SR 27417, a highly potent, long-acting platelet-activating factor receptor antagonist. J Pharmacol Exp Ther. 1991 Oct;259(1):44-51.