Caeurolomycin A
AlkaPlorer ID: AK013201
Synonym: None
IUPAC Name: N-[(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methylidene]hydroxylamine
Structure
SMILES: COC1=CC(C=NO)=NC(C2=CC=CC=N2)=C1
InChI: InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3
InChIKey: JCTRJRHLGOKMCF-UHFFFAOYSA-N
Reference
PubChem CID: 159917
CAS: 19462-07-8
LOTUS: LTS0001914
COCONUT: CNP0172194
{NPAtlas: NPA003215
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 229.23900000000003
TPSA？: 67.6
MolLogP？: 1.9603
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ataxin-2 | Potency | 707.9 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 79432.8 | nM | None |
| Homo sapiens | Eyes absent homolog 2 | Potency | 1199.8 | nM | None |
| Homo sapiens | Heat shock protein HSP 90-alpha | AC50 | 3201.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 1258.9 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 14125.4 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 28183.8 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1158.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 2592.9 | nM | None |
| Homo sapiens | TAR DNA-binding protein 43 | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1158.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1299.5 | nM | None |
| Human immunodeficiency virus 1 | Aberrant vpr protein | Potency | 56234.1 | nM | None |
| Influenza A virus | Nonstructural protein 1 | IC50 | 2507.0 | nM | None |
| Plasmodium falciparum 3D7 | HSP90 | AC50 | 2316.0 | nM | None |
| None | Unchecked | Potency | 290.9 | nM | None |
| None | Unchecked | Potency | 354.8 | nM | None |
| None | Unchecked | Potency | 562.3 | nM | None |
| None | Unchecked | Potency | 794.3 | nM | None |
| None | Unchecked | Potency | 1069.3 | nM | None |
| None | Unchecked | Potency | 1412.5 | nM | None |