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CHEBI:78761 - ML-7

ChEBI IDCHEBI:78761
ChEBI NameML-7
Stars
DefinitionAn N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18).
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H17IN2O2S
Net Charge0
Average Mass416.284
Monoisotopic Mass416.00555
SMILESO=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1
InChIInChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
InChIKeyGEHJIACZUFWBTK-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of myosin-light-chain kinase (EC 2.7.11.18).
ChEBI Ontology
Outgoing Relation(s)
ML-7 (CHEBI:78761) has role EC 2.7.11.18 (myosin-light-chain kinase) inhibitor (CHEBI:78763)
ML-7 (CHEBI:78761) is a N-sulfonyldiazepane (CHEBI:46946)
ML-7 (CHEBI:78761) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
1-[(5-iodo-1-naphthyl)sulfonyl]hexahydro-1H-1,4-diazepine
Synonyms  Source
ML7ChemIDplus
1-[(5-iodo-1-naphthyl)sulfonyl]-1,4-diazepaneChEBI
Manual XrefsDatabases
LSM-4095LINCS
Registry NumbersSources
Reaxys:8570442Reaxys
CAS:109376-83-2ChemIDplus
Citations