Lynamicin B
AlkaPlorer ID: AK014069
Synonym: None
IUPAC Name: methyl 3-(5-chloro-1H-indol-3-yl)-4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrole-2-carboxylate
Structure
SMILES: COC(=O)C1=C(C2=CNC3=CC=C(Cl)C=C23)C(C2=CNC3=CC(Cl)=C(Cl)C=C23)=CN1
InChI: InChI=1S/C22H14Cl3N3O2/c1-30-22(29)21-20(14-8-26-18-3-2-10(23)4-11(14)18)15(9-28-21)13-7-27-19-6-17(25)16(24)5-12(13)19/h2-9,26-28H,1H3
InChIKey: HJXJUNZGSRTQEN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 458.73200000000014
TPSA？: 73.67
MolLogP？: 7.058100000000002
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 3300.0 | nM | 10.1021/np800286d |
| Enterococcus faecium | Enterococcus faecium | MIC | 4400.0 | nM | 10.1021/np800286d |
| Escherichia coli | Escherichia coli | MIC | 13000.0 | nM | 10.1021/np800286d |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 4400.0 | nM | 10.1021/np800286d |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 13000.0 | nM | 10.1021/np800286d |
| Herpesviridae sp. | Herpesviridae sp. | IC50 | 17.2 | ug.mL-1 | 10.1021/np800286d |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1800.0 | nM | 10.1021/np800286d |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2200.0 | nM | 10.1021/np800286d |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 2200.0 | nM | 10.1021/np800286d |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 18000.0 | nM | 10.1021/np800286d |