Pentabromopseudilin
AlkaPlorer ID: AK007313
Synonym: None
IUPAC Name: 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
Structure
SMILES: OC1=C(Br)C=C(Br)C=C1C1=C(Br)C(Br)=C(Br)N1
InChI: InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
InChIKey: LXMNWKJHYOZUQL-UHFFFAOYSA-N
Reference
Highly Brominated Antimicrobial Metabolites from a Marine<i>Pseudoalteromonas</i>sp<i>.</i>
PubChem CID: 324093
CAS: 10245-81-5
LOTUS: LTS0225203
COCONUT: CNP0405120
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas luteoviolacea | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 553.668
TPSA？: 36.02
MolLogP？: 6.1998000000000015
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Gallus gallus | Myosin-Va | IC50 | 1200.0 | nM | 10.1021/jm200259f |
| Homo sapiens | MDA-MB-231 | Activity | 67.0 | % | 10.1016/j.bmc.2020.115928 |
| Homo sapiens | MDA-MB-231 | Activity | nan | None | 10.1016/j.bmc.2020.115928 |
| Homo sapiens | MDA-MB-231 | Inhibition | nan | % | 10.1016/j.bmc.2020.115928 |
| Homo sapiens | MDA-MB-231 | LED | 1.0 | uM | 10.1016/j.bmc.2020.115928 |
| Oryctolagus cuniculus | Myosin light chain kinase 2, skeletal/cardiac muscle | IC50 | 5100.0 | nM | 10.1016/j.bmc.2020.115928 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 100.0 | nM | 10.1021/np100506z |
| None | ADMET | Activity | nan | None | 10.1016/j.bmc.2020.115928 |
| None | Unchecked | Activity | 103.9 | % | 10.1016/j.bmc.2020.115928 |
| None | Unchecked | IC50 | 24400.0 | nM | 10.1021/jm200259f |