Caerulomycin E; 1'-Carboxylic acid, N-methoxyamide
AlkaPlorer ID: AK049254
Synonym: N,4-Dimethoxy-[2,2'-bipyridine]-6-carboxamide, Caerulomycin I
IUPAC Name: N,4-dimethoxy-6-pyridin-2-ylpyridine-2-carboxamide
Structure
SMILES: CON=C(O)C1=CC(OC)=CC(C2=CC=CC=N2)=N1
InChI: InChI=1S/C13H13N3O3/c1-18-9-7-11(10-5-3-4-6-14-10)15-12(8-9)13(17)16-19-2/h3-8H,1-2H3,(H,16,17)
InChIKey: JYJANIYSNABJRT-UHFFFAOYSA-N
Reference
PubChem CID: 53484025
LOTUS: LTS0238195
NPASS: NPC266551
COCONUT: CNP0201535
{NPAtlas: NPA003056
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 259.265
TPSA？: 76.83
MolLogP？: 2.0182
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 100000.0 | nM | 10.1021/np200258h |
| Escherichia coli | Escherichia coli | MIC | 100000.0 | nM | 10.1021/np200258h |
| Homo sapiens | A549 | IC50 | 50000.0 | nM | 10.1021/np200258h |
| Homo sapiens | HL-60 | IC50 | 50000.0 | nM | 10.1021/np200258h |
| Homo sapiens | K562 | IC50 | 370.0 | nM | 10.1021/np200258h |
| Homo sapiens | KB | IC50 | 5200.0 | nM | 10.1021/np200258h |
| Klebsiella aerogenes | Klebsiella aerogenes | MIC | 100000.0 | nM | 10.1021/np200258h |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 100000.0 | nM | 10.1021/np200258h |