quinoxaline-2-carboxylic acid
AlkaPlorer ID: AK025035
Synonym: None
IUPAC Name: quinoxaline-2-carboxylic acid
Structure
SMILES: O=C(O)C1=CN=C2C=CC=CC2=N1
InChI: InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKey: UPUZGXILYFKSGE-UHFFFAOYSA-N
Reference
PubChem CID: 96695
CAS: 879-65-2
LOTUS: LTS0156623
SuperNatural Ⅲ: SN0376890
COCONUT: CNP0212397
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces triostinicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 174.159
TPSA？: 63.08
MolLogP？: 1.3279999999999998
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Caenorhabditis elegans | Protein skinhead-1 | IC50 | 100000.0 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 31622.8 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 25118.9 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase | Potency | 19952.6 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 79432.8 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 6309.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 19952.6 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 22387.2 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Potency | 26679.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 89125.1 | nM | None |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 320000.0 | nM | 10.1016/j.bmcl.2018.12.027 |
| Influenza A virus | Nonstructural protein 1 | Potency | 10000.0 | nM | None |
| Mycobacterium tuberculosis variant bovis | Mycobacterium tuberculosis variant bovis | MIC50 | 700000.0 | nM | 10.1016/j.bmc.2022.117046 |
| None | NON-PROTEIN TARGET | MIC | 128.0 | ug.mL-1 | 10.1021/jm020310n |
| None | Unchecked | EC50 | 13400.0 | nM | None |
| None | Unchecked | Potency | 580.5 | nM | None |