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Marinopyrrole A

AlkaPlorer ID: AK025706

Synonym: None

IUPAC Name: [4,5-dichloro-1-[4,5-dichloro-2-(2-hydroxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]-(2-hydroxyphenyl)methanone

Structure

SMILES: O=C(C1=CC=CC=C1O)C1=C(N2C(C(=O)C3=CC=CC=C3O)=CC(Cl)=C2Cl)C(Cl)=C(Cl)N1

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InChI: InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H

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InChIKey: QYPJBTMRYKRTFG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 510.1600000000002

TPSA？: 95.32

MolLogP？: 6.292200000000002

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Apoptosis regulator Bcl-X IC50 80000.0 nM 10.1016/j.ejmech.2018.01.076
Homo sapiens Apoptosis regulator Bcl-X IC50 80000.0 nM 10.1021/acs.jmedchem.1c00690
Homo sapiens Bcl-xL/Bcl-2-like protein 11 IC50 12000.0 nM 10.1016/j.ejmech.2020.113038
Homo sapiens Bcl-xL/Bcl-2-like protein 11 IC50 16400.0 nM 10.1016/j.ejmech.2014.11.035
Homo sapiens Bcl-xL/Bcl-2-like protein 11 IC50 16400.0 nM 10.1016/j.ejmech.2020.113038
Homo sapiens Bcl-xL/Bcl-2-like protein 11 IC50 19700.0 nM 10.1016/j.ejmech.2020.113038
Homo sapiens HeLa IC50 20000.0 nM 10.1016/j.ejmech.2018.01.076
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 Ki 10.1 nM 10.1016/j.ejmech.2019.05.019
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 IC50 8900.0 nM 10.1016/j.ejmech.2014.11.035
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 IC50 8900.0 nM 10.1016/j.ejmech.2020.113038
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 IC50 12500.0 nM 10.1016/j.ejmech.2020.113038
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 IC50 12700.0 nM 10.1016/j.ejmech.2020.113038
Homo sapiens RS4-11 IC50 2000.0 nM 10.1016/j.ejmech.2018.01.076
Mus musculus Induced myeloid leukemia cell differentiation protein Mcl-1 homolog IC50 10000.0 nM 10.1039/C5MD00582E
Mus musculus Induced myeloid leukemia cell differentiation protein Mcl-1 homolog IC50 10100.0 nM 10.1016/j.ejmech.2018.01.076
Mus musculus Induced myeloid leukemia cell differentiation protein Mcl-1 homolog IC50 10100.0 nM 10.1021/acs.jmedchem.1c00690
Mus musculus Induced myeloid leukemia cell differentiation protein Mcl-1 homolog IC50 10100.0 nM 10.1021/acs.jmedchem.5b01888
None Unchecked Ratio IC50 8.0 None 10.1021/acs.jmedchem.5b01888

Metabolism Information