CHEBI:85102 - KT 5823

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ChEBI Name KT 5823
ChEBI ID CHEBI:85102
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 methyl (3R)-3-methoxy-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-methyl-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 C29H25N3O5
Net Charge 0
Average Mass 495.52590
Monoisotopic Mass 495.17942
InChI InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1
InChIKey QTYMDECKVKSGSM-YMUMJAELSA-N
SMILES COC(=O)[C@]1(C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CN(C)C(=O)c4c4c5ccccc5n2c4c13)OC
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 2.7.11.12 (cGMP-dependent protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cGMP-dependent protein kinase (EC 2.7.11.12).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing KT 5823 (CHEBI:85102) has role EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor (CHEBI:85113)
KT 5823 (CHEBI:85102) is a γ-lactam (CHEBI:74222)
KT 5823 (CHEBI:85102) is a hemiaminal (CHEBI:73080)
KT 5823 (CHEBI:85102) is a indolocarbazole (CHEBI:51915)
KT 5823 (CHEBI:85102) is a methyl ester (CHEBI:25248)
KT 5823 (CHEBI:85102) is a organic heterooctacyclic compound (CHEBI:38165)
IUPAC Name
methyl (5S,6R,8R)-6-methoxy-5,14-dimethyl-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
KT-5823 ChemIDplus
KT5823 ChemIDplus
Registry Numbers Types Sources
126643-37-6 CAS Registry Number ChemIDplus
8175390 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10922374 PubMed citation Europe PMC
12851655 PubMed citation Europe PMC
14614039 PubMed citation Europe PMC
1666198 PubMed citation Europe PMC
21209020 PubMed citation Europe PMC
8529881 PubMed citation Europe PMC
Last Modified
12 March 2015