5-Methylnicotinic acid
AlkaPlorer ID: AK365906
Synonym: None
IUPAC Name: 5-methylpyridine-3-carboxylic acid
Structure
SMILES: CC1=CN=CC(C(=O)O)=C1
InChI: InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
InChIKey: DJDHHXDFKSLEQY-UHFFFAOYSA-N
Reference
Structure and Cytotoxicity of Diterpenoids from <i>Isodon eriocalyx</i>
PubChem CID: 256208
CAS: 3222-49-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 137.13799999999998
TPSA？: 50.19
MolLogP？: 1.08822
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | D-amino-acid oxidase | IC50 | 1499000.0 | nM | 10.1021/acs.jmedchem.5b00871 |
| Homo sapiens | D-aspartate oxidase | IC50 | 5472000.0 | nM | 10.1021/acs.jmedchem.5b00871 |
| Homo sapiens | Hydroxycarboxylic acid receptor 2 | EC50 | 16000.0 | nM | 10.1016/j.bmcl.2007.06.028 |