Drug General Information
Drug ID
D03IKU
Former ID
DNC000079
Drug Name
5-carboxymethylthio-3-(3'-chlorophenyl)-1,2,4-oxadiazol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535242]
Structure
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2D MOL

3D MOL

Formula
C22H36N4O4
Canonical SMILES
CCC(C)C(C(=O)NC1=CC=CC=N1)NC(=O)C(CC(C)C)C(C(C)C)N(C=O)<br />O
InChI
1S/C22H36N4O4/c1-7-16(6)19(22(29)24-18-10-8-9-11-23-18)25-21(28)17(12-14(2)3)20(15(4)5)26(30)13-27/h8-11,13-17,19-20,30H,7,12H2,1-6H3,(H,25,28)(H,23,24,29)/t16-,17+,19-,20-/m0/s1
InChIKey
SMZPWUUYPYYHIV-HNJRGHQBSA-N
CAS Number
CAS 212609-68-2
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Cystathionine gamma-synthase Target Info Inhibitor [535242]
References
Ref 535242Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor. J Mol Biol. 2001 Aug 24;311(4):789-801.
Ref 535242Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor. J Mol Biol. 2001 Aug 24;311(4):789-801.

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