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CHEBI:85085 - KT 5720

ChEBI IDCHEBI:85085
ChEBI NameKT 5720
Stars
DefinitionAn 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.
Last Modified11 March 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H31N3O5
Net Charge0
Average Mass537.616
Monoisotopic Mass537.22637
SMILES[H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=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
InChIKeyZHEHVZXPFVXKEY-RUAOOFDTSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.11 (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 2.7.11.11).
ChEBI Ontology
Outgoing Relation(s)
KT 5720 (CHEBI:85085) has functional parent K-252a (CHEBI:43616)
KT 5720 (CHEBI:85085) has role EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor (CHEBI:85094)
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)
KT 5720 (CHEBI:85085) is a γ-lactam (CHEBI:74222)
IUPAC Name 
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  Source
KT5720ChEBI
KT-5720ChemIDplus
(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 esterChEBI
antibiotic KT 5720ChEBI
Manual XrefsDatabases
XDRPDBeChem
KT5720Wikipedia
Registry NumbersSources
Reaxys:8376260Reaxys
CAS:108068-98-0ChemIDplus
Citations