Details of the Drug

General Information of Drug (ID: DMW1OI6)

Drug Name

P32/98

Synonyms

Isoleucine-thiazolidide; AC1OCFGS; MolPort-044-561-375

Indication

Disease Entry	ICD 11	Status	REF
Autism spectrum disorder	6A02	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

318.39

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C13H22N2O5S
IUPAC Name: (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one;(E)-but-2-enedioic acid
Canonical SMILES: CC[C@H](C)[C@@H](C(=O)N1CCSC1)N.C(=C/C(=O)O)\\C(=O)O
InChI: InChI=1S/C9H18N2OS.C4H4O4/c1-3-7(2)8(10)9(12)11-4-5-13-6-11;5-3(6)1-2-4(7)8/h7-8H,3-6,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-,8-;/m0./s1
InChIKey: ZSOPWZQRZHWYFY-NUXPJIRBSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Autism spectrum disorder

ICD Disease Classification

6A02

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dipeptidyl peptidase 4 (DPP-4)	DTT	DPP4	9.54E-01	-0.27	-1.85

Molecular Expression Atlas (MEA)

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References

1	Long-term treatment with the dipeptidyl peptidase IV inhibitor P32/98 causes sustained improvements in glucose tolerance, insulin sensitivity, hyperinsulinemia, and beta-cell glucose responsiveness in VDF (fa/fa) Zucker rats. Diabetes. 2002 Apr;51(4):943-50.