CHEBI:85114 - KT 5926

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ChEBI Name KT 5926
Definition An organic heterooctacyclic compound that is 5-propoxy-1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of methyl (3R)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2S,3R,5R product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H27N3O6
Net Charge 0
Average Mass 525.55190
Monoisotopic Mass 525.18999
InChI InChI=1S/C30H27N3O6/c1-4-11-38-15-9-10-19-17(12-15)23-24-18(14-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-13-30(36,28(35)37-3)29(33,2)39-21/h5-10,12,21,36H,4,11,13-14H2,1-3H3,(H,31,34)/t21-,29+,30+/m1/s1
SMILES CCCOc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC (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
View more via ChEBI Ontology
ChEBI Ontology
Outgoing KT 5926 (CHEBI:85114) has role EC (myosin-light-chain kinase) inhibitor (CHEBI:78763)
KT 5926 (CHEBI:85114) is a γ-lactam (CHEBI:74222)
KT 5926 (CHEBI:85114) is a hemiaminal (CHEBI:73080)
KT 5926 (CHEBI:85114) is a indolocarbazole (CHEBI:51915)
KT 5926 (CHEBI:85114) is a methyl ester (CHEBI:25248)
KT 5926 (CHEBI:85114) is a organic heterooctacyclic compound (CHEBI:38165)
KT 5926 (CHEBI:85114) is a tertiary alcohol (CHEBI:26878)
methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-11-propoxy-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
Synonyms Sources
9-hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta[cde]trinden-1-one ChemIDplus
KT-5926 ChemIDplus
KT5926 ChemIDplus
Registry Numbers Types Sources
126643-38-7 CAS Registry Number ChemIDplus
24302813 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1659814 PubMed citation Europe PMC
2325635 PubMed citation Europe PMC
7954419 PubMed citation Europe PMC
8182431 PubMed citation Europe PMC
8529881 PubMed citation Europe PMC
9240372 PubMed citation Europe PMC
9635507 PubMed citation Europe PMC
Last Modified
12 March 2015