Xestomanzamine A
AlkaPlorer ID: AK037402
Synonym: ''
IUPAC Name: (3-methylimidazol-4-yl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
Structure
SMILES: CN1C=NC=C1C(=O)C1=NC=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C16H12N4O/c1-20-9-17-8-13(20)16(21)15-14-11(6-7-18-15)10-4-2-3-5-12(10)19-14/h2-9,19H,1H3
InChIKey: AKUVPIGMKLIECB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 276.29900000000004
TPSA？: 63.57
MolLogP？: 2.680600000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 0.05 | ug.mL-1 | 10.1021/acs.jnatprod.7b00121 |
| Escherichia coli | Escherichia coli | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00121 |
| Homo sapiens | A549 | LC50 | 12000.0 | nM | 10.1021/acs.jnatprod.7b00121 |
| Homo sapiens | K562 | LC50 | 13000.0 | nM | 10.1021/acs.jnatprod.7b00121 |
| Homo sapiens | Sodium/potassium-transporting ATPase | IC50 | 150000.0 | nM | 10.1021/acs.jnatprod.7b00121 |
| Kocuria rhizophila | Kocuria rhizophila | MIC | 0.025 | ug.mL-1 | 10.1021/acs.jnatprod.7b00121 |
| Proteus hauseri | Proteus hauseri | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00121 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 0.025 | ug.mL-1 | 10.1021/acs.jnatprod.7b00121 |
| Staphylococcus aureus | Sortase A | IC50 | 150000.0 | nM | 10.1021/acs.jnatprod.7b00121 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00121 |
| None | Unchecked | IC50 | 150000.0 | nM | 10.1021/acs.jnatprod.7b00121 |