Caerulomycin E; 1'-Methanamine, O-de-Me, N-Ac
AlkaPlorer ID: AK066001
Synonym: N-Acetyl-4-hydroxy-[2,2'-bipyridine]-6-methanamine, Caerulomycin J
IUPAC Name: N-[(4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
Structure
SMILES: CC(=O)NCC1=CC(=O)C=C(C2=CC=CC=N2)N1
InChI: InChI=1S/C13H13N3O2/c1-9(17)15-8-10-6-11(18)7-13(16-10)12-4-2-3-5-14-12/h2-7H,8H2,1H3,(H,15,17)(H,16,18)
InChIKey: IXDVQWRMMLGZLB-UHFFFAOYSA-N
Reference
PubChem CID: 53484027
LOTUS: LTS0201569
NPASS: NPC25899
COCONUT: CNP0190832
{NPAtlas: NPA009351
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 243.266
TPSA？: 74.85
MolLogP？: 1.0729999999999995
Number of H-Donors: 2
Number of H-Acceptors: 3
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 | 15000.0 | nM | 10.1021/np200258h |
| Homo sapiens | KB | IC50 | 25700.0 | 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 |