Lynamicin D
AlkaPlorer ID: AK037373
Synonym: None
IUPAC Name: dimethyl 3,4-bis(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
Structure
SMILES: COC(=O)C1=C(C2=CNC3=CC=C(Cl)C=C23)C(C2=CNC3=CC=C(Cl)C=C23)=C(C(=O)OC)N1
InChI: InChI=1S/C24H17Cl2N3O4/c1-32-23(30)21-19(15-9-27-17-5-3-11(25)7-13(15)17)20(22(29-21)24(31)33-2)16-10-28-18-6-4-12(26)8-14(16)18/h3-10,27-29H,1-2H3
InChIKey: YYBKJQDTRQASSS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 482.3230000000002
TPSA？: 99.97
MolLogP？: 6.191300000000004
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 | 17000.0 | nM | 10.1021/np800286d |
| Enterococcus faecium | Enterococcus faecium | MIC | 17000.0 | nM | 10.1021/np800286d |
| Escherichia coli | Escherichia coli | MIC | 67000.0 | nM | 10.1021/np800286d |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 10000.0 | nM | 10.1021/np800286d |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 17000.0 | nM | 10.1021/np800286d |
| Herpesviridae sp. | Herpesviridae sp. | IC50 | 17.2 | ug.mL-1 | 10.1021/np800286d |
| Homo sapiens | A549 | Activity | 88.0 | % | 10.1016/j.bmc.2017.01.025 |
| Homo sapiens | HeLa | Activity | 82.0 | % | 10.1016/j.bmc.2017.01.025 |
| Homo sapiens | Serine/threonine-protein kinase SRPK1 | Inhibition | nan | % | 10.1016/j.bmc.2017.01.025 |
| Homo sapiens | T98G | Activity | 91.0 | % | 10.1016/j.bmc.2017.01.025 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6200.0 | nM | 10.1021/np800286d |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 8300.0 | nM | 10.1021/np800286d |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 42000.0 | nM | 10.1021/np800286d |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 50000.0 | nM | 10.1021/np800286d |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2017.01.025 |
| None | Unchecked | FC | 1.9 | None | 10.1016/j.bmc.2017.01.025 |
| None | Unchecked | FC | 3.0 | None | 10.1016/j.bmc.2017.01.025 |