Compound: KT5720
SMILES: O=C1NCc2c1c3c4n([C@H]5O[C@](n6c4c2c7c6cccc7)(C)[C@](C5)(O)C(=O)OCCCCCC)c8c3cccc8
InChIKey: ZHEHVZXPFVXKEY-RUAOOFDTSA-N
Synonyms: KT5720, 108068-98-0, KT 5720, 58HV29I28S, KT-5720, DTXSID40910614, CHEBI:85085, RefChem:151486, DTXCID501339659, hexyl (15R,16R,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo(12.11.2.1^(15,18).0^(2,6).0^(7,27).0^(8,13).0^(19,26).0^(20,25))octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboxylate, 810-587-2, hexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate, Hexyl (15R,16R,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate, (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, UNII-58HV29I28S, hexyl hydroxy-methyl-oxo-[?]carboxylate, ZHEHVZXPFVXKEY-RUAOOFDTSA-N, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, hexyl ester, (9R,10R,12S)-rel-, 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, hexyl ester, (9R,10R,12S)-rel-, antibiotic KT 5720, ANTIBIOTIC KT-5720, orb1707127, SCHEMBL31119069, BDBM14030, DTXSID101369462, HMS3229H09, HY-N6789, EX-A14575, MFCD00132118, AKOS030213134, BK162735, DA-54695, MS-32640, CS-0002494, KT5720 - CAS 108068-98-0, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo (3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, hexyl ester, (9alpha,10beta,12alpha)-, 9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-10-CARBOXYLIC ACID, 2,3,9,10,11,12-HEXAHYDRO-10-HYDROXY-9-METHYL-1-OXO-, HEXYL ESTER, (9R,10S,12S)-, hexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate, 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, Hexyl (5S,7S,8R)-7,15-dihydroxy-8-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-7-carboxylate
Theoretical properties:
molecular_formula: C32H31N3O5
molecular_weight: 537.6 g/mol
exact_mass: 537.22637110 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 7
heavy_atom_count: 40
topological_polar_surface_area: 94.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: KT 5720 is 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. It has a role as an EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor. It is a tertiary alcohol, a carboxylic ester, an organic heterooctacyclic compound, an indolocarbazole, a semisynthetic derivative, a hemiaminal and a gamma-lactam. It is functionally related to a K-252a.
chebi: An organic heterooctacyclic compound that is 1<em>H</em>,1'<em>H</em>-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3<i>S</i>)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2<i>R</i>,3<i>S</i>,5<i>S</i> 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-2<em>H</em>-pyrrol-2-one.
wikipedia: KT5720 is a kinase inhibitor with specificity towards protein kinase A. It is a semi-synthetic derivative of K252a and analog of staurosporine.