Pteroic Acid
AlkaPlorer ID: AK000356
Synonym: None
IUPAC Name: 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoic acid
Structure
SMILES: C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
InChI: InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKey: JOAQINSXLLMRCV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 312.289
TPSA？: 146.88
MolLogP？: 0.6056000000000001
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | Activity | nan | None | 10.1021/jm00213a023 |
| Ricinus communis | Ricin | IC50 | 600000.0 | nM | 10.1016/j.ejmech.2011.05.025 |
| Ricinus communis | Ricin | IC50 | 600000.0 | nM | 10.1021/jm010186s |
| Ricinus communis | Ricin | IC50 | 600000.0 | nM | 10.1021/jm3016393 |
| None | Unchecked | IC50 | 16000.0 | nM | 10.1021/jm0103256 |
| None | Unchecked | IC50 | 600000.0 | nM | 10.1021/jm010186s |