pyrrole-2-carboxylic acid
AlkaPlorer ID: AK005710
Synonym: '2-pyrrolecarboxylic acid', '', 'PYRROLE-2-CARBOXYLIC ACID', 'pyrrole-2-carboxylic acid', 'Minaline', 'Pyrrole-2-carboxylate', 'Pyrrole-2-carboxylic acid', '2-Minaline', '634-97-9', 'PCA'
IUPAC Name: 1H-pyrrole-2-carboxylic acid
Structure
SMILES: O=C(O)C1=CC=CN1
InChI: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChIKey: WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Reference
PubChem CID: 12473
CAS: 634-97-9
LOTUS: LTS0226371
COCONUT: CNP0331002
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coelicoflavus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 111.09999999999998
TPSA？: 53.09
MolLogP？: 0.7128999999999999
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agaricus bisporus | Tyrosinase | Inhibition | 69.0 | % | 10.1021/jm101266s |
| Bacillus anthracis | Anthrax lethal factor | Inhibition | 11.0 | % | 10.1021/jm101266s |
| Homo sapiens | Arachidonate 5-lipoxygenase | Inhibition | 48.0 | % | 10.1021/jm101266s |
| Homo sapiens | D-amino-acid oxidase | IC50 | 5000.0 | nM | 10.1016/j.bmcl.2008.04.020 |
| Homo sapiens | Matrix metalloproteinase-1 | Inhibition | 8.0 | % | 10.1021/jm101266s |
| Homo sapiens | Matrix metalloproteinase-2 | Inhibition | 1.0 | % | 10.1021/jm101266s |
| Homo sapiens | Matrix metalloproteinase 3 | Inhibition | -8.0 | % | 10.1021/jm101266s |
| Homo sapiens | Matrix metalloproteinase 8 | Inhibition | -24.0 | % | 10.1021/jm101266s |
| Homo sapiens | Matrix metalloproteinase 9 | Inhibition | -20.0 | % | 10.1021/jm101266s |
| Mus musculus | Nitric oxide synthase, inducible | Inhibition | 7.0 | % | 10.1021/jm101266s |
| Sus scrofa | D-amino-acid oxidase | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2013.04.062 |
| Sus scrofa | D-amino-acid oxidase | Kd | 26000.0 | nM | 10.1021/jm4002583 |