Caerulomycin E; 1'-Carboxylic acid, amide
AlkaPlorer ID: AK042213
Synonym: 4-Methoxy-[2,2'-bipyridine]-6-carboxamide, Caerulomycinamide
IUPAC Name: 4-methoxy-6-pyridin-2-ylpyridine-2-carboxamide
Structure
SMILES: COC1=CC(C(=N)O)=NC(C2=CC=CC=N2)=C1
InChI: InChI=1S/C12H11N3O2/c1-17-8-6-10(9-4-2-3-5-14-9)15-11(7-8)12(13)16/h2-7H,1H3,(H2,13,16)
InChIKey: GGOIWQPOOKIKRW-UHFFFAOYSA-N
Reference
PubChem CID: 56679736
LOTUS: LTS0138018
NPASS: NPC161887
COCONUT: CNP0111928
{NPAtlas: NPA005719
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Actinoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 229.23900000000003
TPSA？: 79.09
MolLogP？: 2.03557
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| 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 | nan | None | 10.1021/np200258h |
| Homo sapiens | KB | IC50 | nan | None | 10.1021/np200258h |