AGN-PC-07NF8I
AlkaPlorer ID: AK027952
Synonym: 'Marinopyrrole D'
IUPAC Name: [4,5-dichloro-3-[2,3-dichloro-5-(5-chloro-2-hydroxybenzoyl)pyrrol-1-yl]-1H-pyrrol-2-yl]-(2-hydroxyphenyl)methanone
Structure
SMILES: O=C(C1=CC=CC=C1O)C1=C(N2C(C(=O)C3=CC(Cl)=CC=C3O)=CC(Cl)=C2Cl)C(Cl)=C(Cl)N1
InChI: InChI=1S/C22H11Cl5N2O4/c23-9-5-6-15(31)11(7-9)19(32)13-8-12(24)22(27)29(13)18-16(25)21(26)28-17(18)20(33)10-3-1-2-4-14(10)30/h1-8,28,30-31H
InChIKey: MAWRMNHXMWZATN-UHFFFAOYSA-N
Reference
Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A−F
PubChem CID: 46221632
LOTUS: LTS0082508
COCONUT: CNP0171973
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 544.6050000000002
TPSA？: 95.32
MolLogP？: 6.945600000000002
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 | Bcl-xL/Bcl-2-like protein 11 | IC50 | 18300.0 | nM | 10.1016/j.ejmech.2014.11.035 |
| Homo sapiens | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | IC50 | 3900.0 | nM | 10.1016/j.ejmech.2014.11.035 |
| Homo sapiens | MDA-MB-468 | Activity | nan | None | 10.1016/j.ejmech.2014.11.035 |