pyrrole-3-carboxylic acid
AlkaPlorer ID: AK063811
Synonym: None
IUPAC Name: 1H-pyrrole-3-carboxylic acid
Structure
SMILES: O=C(O)C1=CNC=C1
InChI: InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChIKey: DOYOPBSXEIZLRE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium chrysogenum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
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 |
|---|---|---|---|---|---|
| Homo sapiens | Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | 100000.0 | nM | 10.1021/acs.jmedchem.0c00660 |
| Homo sapiens | Palmitoleoyl-protein carboxylesterase NOTUM | Inhibition | 20.0 | % | 10.1021/acs.jmedchem.0c00660 |
| None | Unchecked | Inhibition | 46.0 | % | 10.1021/jm00080a006 |