Drug Information

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
216470
PubChem Substance ID
9372912, 14855981, 30420154, 57399790, 77342759, 93167049, 103592786, 103839299, 104102602, 113461716, 117537945, 134339519, 134339614, 135135026, 135730977, 137098394, 138047650, 138069834, 198982960, 228944692
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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