Caerulomycin E; 1'-Carboxylic acid, nitrile
AlkaPlorer ID: AK024575
Synonym: 4-Methoxy-[2,2'-bipyridine]-6-carbonitrile, 6-Cyano-4-methoxy-2,2'-bipyridine, Caerulomycinonitrile
IUPAC Name: 4-methoxy-6-pyridin-2-ylpyridine-2-carbonitrile
Structure
SMILES: COC1=CC(C#N)=NC(C2=CC=CC=N2)=C1
InChI: InChI=1S/C12H9N3O/c1-16-10-6-9(8-13)15-12(7-10)11-4-2-3-5-14-11/h2-7H,1H3
InChIKey: UEBDZDZLEVYUEC-UHFFFAOYSA-N
Reference
PubChem CID: 13586798
LOTUS: LTS0036921
NPASS: NPC111624
COCONUT: CNP0310828
{NPAtlas: NPA019561
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 211.22400000000005
TPSA？: 58.8
MolLogP？: 2.02388
Number of H-Donors: 0
Number of H-Acceptors: 4
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 | 50000.0 | 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 |