Lynamicin E
AlkaPlorer ID: AK031438
Synonym: None
IUPAC Name: dimethyl 3-(5-chloro-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
Structure
SMILES: COC(=O)C1=C(C2=CNC3=CC=CC=C23)C(C2=CNC3=CC=C(Cl)C=C23)=C(C(=O)OC)N1
InChI: InChI=1S/C24H18ClN3O4/c1-31-23(29)21-19(15-10-26-17-6-4-3-5-13(15)17)20(22(28-21)24(30)32-2)16-11-27-18-8-7-12(25)9-14(16)18/h3-11,26-28H,1-2H3
InChIKey: KJGOESWUEDEYLP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 447.87800000000016
TPSA？: 99.97
MolLogP？: 5.537900000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 54000.0 | nM | 10.1021/np800286d |
| Enterococcus faecium | Enterococcus faecium | MIC | 54000.0 | nM | 10.1021/np800286d |
| Escherichia coli | Escherichia coli | MIC | 72000.0 | nM | 10.1021/np800286d |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 72000.0 | nM | 10.1021/np800286d |
| Herpesviridae sp. | Herpesviridae sp. | IC50 | 17.2 | ug.mL-1 | 10.1021/np800286d |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 27000.0 | nM | 10.1021/np800286d |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 45000.0 | nM | 10.1021/np800286d |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 45000.0 | nM | 10.1021/np800286d |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 72000.0 | nM | 10.1021/np800286d |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 72000.0 | nM | 10.1021/np800286d |