CHEBI:85085 - KT 5720

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name KT 5720
Definition An organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S 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
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C32H31N3O5
Net Charge 0
Average Mass 537.60560
Monoisotopic Mass 537.22637
InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
SMILES CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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 (cAMP-dependent protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cAMP-dependent protein kinase (EC
View more via ChEBI Ontology
ChEBI Ontology
Outgoing KT 5720 (CHEBI:85085) has functional parent K-252a (CHEBI:43616)
KT 5720 (CHEBI:85085) has role EC (cAMP-dependent protein kinase) inhibitor (CHEBI:85094)
KT 5720 (CHEBI:85085) is a γ-lactam (CHEBI:74222)
KT 5720 (CHEBI:85085) is a carboxylic ester (CHEBI:33308)
KT 5720 (CHEBI:85085) is a hemiaminal (CHEBI:73080)
KT 5720 (CHEBI:85085) is a indolocarbazole (CHEBI:51915)
KT 5720 (CHEBI:85085) is a organic heterooctacyclic compound (CHEBI:38165)
KT 5720 (CHEBI:85085) is a semisynthetic derivative (CHEBI:72588)
KT 5720 (CHEBI:85085) is a tertiary alcohol (CHEBI:26878)
hexyl (5R,6S,8S)-6-hydroxy-5-methyl-13-oxo-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
(9R,10S,12S)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid hexyl ester ChEBI
antibiotic KT 5720 ChEBI
KT-5720 ChemIDplus
KT5720 ChEBI
Manual Xrefs Databases
KT5720 Wikipedia
View more database links
Registry Numbers Types Sources
108068-98-0 CAS Registry Number ChemIDplus
8376260 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12547730 PubMed citation Europe PMC
15528235 PubMed citation Europe PMC
16542724 PubMed citation Europe PMC
20972940 PubMed citation Europe PMC
21287607 PubMed citation Europe PMC
23713946 PubMed citation Europe PMC
7786606 PubMed citation Europe PMC
7954419 PubMed citation Europe PMC
8529881 PubMed citation Europe PMC
9699505 PubMed citation Europe PMC
9872566 PubMed citation Europe PMC
Last Modified
11 March 2015