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CHEBI:232809 - NMS-873

ChEBI IDCHEBI:232809
ChEBI NameNMS-873
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FormulaC27H28N4O3S2
Net Charge0
Average Mass520.680
Monoisotopic Mass520.16028
SMILESCc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3
InChIKeyUJGTUKMAJVCBIS-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor  An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme acting on ATP and involved in cellular and subcellular movement (EC 3.6.4.*).
ChEBI Ontology
Outgoing Relation(s)
NMS-873 (CHEBI:232809) has role EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor (CHEBI:76938)
NMS-873 (CHEBI:232809) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
Registry NumbersSources
CAS:1418013-75-8SUBMITTER
Citations