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Calothrixin B

AlkaPlorer ID: AK072735

Synonym: '', 'Calothrixin B'

IUPAC Name: 10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione

Structure

SMILES: O=C1C2=C(C(=O)C3=CN=C4C=CC=CC4=C13)C1=CC=CC=C1N2

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InChI: InChI=1S/C19H10N2O2/c22-18-12-9-20-13-7-3-1-5-10(13)15(12)19(23)17-16(18)11-6-2-4-8-14(11)21-17/h1-9,21H

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InChIKey: CCPDIHKLISWESE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Rivulariaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 298.301

TPSA？: 62.82

MolLogP？: 3.491500000000002

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Calf thymus DNA Activity 6.4 % 10.1021/acs.jmedchem.7b01797
Bos taurus Calf thymus DNA Activity nan None 10.1021/acs.jmedchem.7b01797
Bos taurus Calf thymus DNA Kb nan None 10.1021/acs.jmedchem.7b01797
Homo sapiens CCRF-CEM Activity 4.5 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 4.6 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 4.8 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 6.2 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 6.4 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 7.4 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 7.5 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 7.7 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 7.9 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 11.2 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 16.5 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 17.0 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 17.3 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 17.6 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 18.2 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 18.6 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 18.8 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 25.3 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 51.4 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 55.6 % 10.1021/np8007232
Homo sapiens CCRF-CEM Activity 61.5 % 10.1021/np8007232
Homo sapiens CCRF-CEM IC50 1050.0 nM 10.1021/np8007232
Homo sapiens DNA topoisomerase I Activity 24.0 % 10.1021/np8007232
Homo sapiens DNA topoisomerase I Activity nan None 10.1021/np8007232
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1021/acs.jmedchem.7b01797
Homo sapiens HCT-116 Activity nan None 10.1021/acs.jmedchem.7b01797
Homo sapiens HCT-116 GI50 650.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens HCT-116 GI50 2550.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens HCT-116 Inhibition nan % 10.1021/acs.jmedchem.7b01797
Homo sapiens HeLa Activity nan None 10.1021/acs.jmedchem.7b01797
Homo sapiens HeLa EC50 240.0 nM 10.1021/jm049625o
Homo sapiens HeLa EC50 250.0 nM 10.1016/j.bmcl.2006.09.090
Homo sapiens HeLa GI50 470.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens Jurkat GI50 4000.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens MCF7 GI50 260.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens MDA-MB-231 GI50 160.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens NCI-H460 Activity nan None 10.1021/acs.jmedchem.7b01797
Homo sapiens NCI-H460 GI50 4000.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens NCI-H460 Inhibition nan % 10.1021/acs.jmedchem.7b01797
Homo sapiens SiHa GI50 3500.0 nM 10.1021/acs.jmedchem.7b01797
Homo sapiens U-251 GI50 2250.0 nM 10.1021/acs.jmedchem.7b01797
Mus musculus P388 EC50 9000.0 nM 10.1016/j.bmcl.2006.09.090
Plasmodium falciparum Plasmodium falciparum IC50 120.0 nM 10.1016/j.bmcl.2012.05.064
None ADMET EC50 2400.0 nM 10.1016/j.bmcl.2006.09.090
None No relevant target LogP -1.81 None 10.1021/acs.jmedchem.7b01797
None Supercoiled DNA Activity nan None 10.1021/acs.jmedchem.7b01797
None Unchecked LogD -2.11 None 10.1021/acs.jmedchem.7b01797

Metabolism Information