CHEBI:78761 - ML-7

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ChEBI Name ML-7
ChEBI ID CHEBI:78761
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H17IN2O2S
Net Charge 0
Average Mass 416.27700
Monoisotopic Mass 416.00554
InChI InChI=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
InChIKey GEHJIACZUFWBTK-UHFFFAOYSA-N
SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
1-[(5-iodo-1-naphthyl)sulfonyl]-1,4-diazepane ChEBI
ML7 ChemIDplus
Manual Xref Database
LSM-4095 LINCS
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Registry Numbers Types Sources
109376-83-2 CAS Registry Number ChemIDplus
8570442 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1879528 PubMed citation Europe PMC
3108259 PubMed citation Europe PMC
Last Modified
25 February 2016