3-(1H-imidazol-4-yl)propanoic acid
AlkaPlorer ID: AK081097
Synonym: None
IUPAC Name: 3-(1H-imidazol-5-yl)propanoic acid
Structure
SMILES: O=C(O)CCC1=CN=CN1
InChI: InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey: ZCKYOWGFRHAZIQ-UHFFFAOYSA-N
Reference
Basische Pilzinhaltsstoffe, X. Imidazolderivate im Faltentintling,<i>Coprinus atramentarius</i>Bull.
PubChem CID: 70630
CAS: 1074-59-5
LOTUS: LTS0109595
COCONUT: CNP0199628
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coprinopsis atramentaria | Coprinopsis | Psathyrellaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 140.142
TPSA？: 65.97999999999999
MolLogP？: 0.4269000000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | GABA transporter 1 | Activity | 61.7 | % | 10.1016/j.ejmech.2011.01.042 |
| Mus musculus | GABA transporter 3 | IC50 | 645654.23 | nM | 10.1016/j.ejmech.2011.01.042 |
| Mus musculus | GABA transporter 4 | IC50 | 22908.68 | nM | 10.1016/j.ejmech.2011.01.042 |
| Rattus norvegicus | GABA-A receptor; anion channel | IC50 | 290000.0 | nM | 10.1021/jm00385a003 |
| Rattus norvegicus | Histidine decarboxylase | Inhibition | 9.0 | % | 10.1021/jm00214a009 |
| None | Unchecked | IC50 | 3170.0 | nM | 10.1016/j.bmcl.2010.04.116 |
| None | Unchecked | IC50 | 81283.05 | nM | 10.1016/j.ejmech.2011.01.042 |
| None | Unchecked | Ratio pIC50 | 4.0 | None | 10.1016/j.ejmech.2011.01.042 |
| None | Unchecked | Ratio pIC50 | 29.0 | None | 10.1016/j.ejmech.2011.01.042 |
| None | Unchecked | Ratio pIC50 | 44.0 | None | 10.1016/j.ejmech.2011.01.042 |