Willardiine; (±)-form
AlkaPlorer ID: AK317895
Synonym: None
IUPAC Name: 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
Structure
SMILES: NC(CN1C=CC(O)=NC1=O)C(=O)O
InChI: InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)
InChIKey: FACUYWPMDKTVFU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acacia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 199.166
TPSA？: 118.43999999999998
MolLogP？: -1.6392
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bloom syndrome protein | Potency | 63095.7 | nM | None |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA | IC50 | 1800.0 | nM | 10.1021/jm950028z |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA | Inhibition | 100.0 | % | 10.1021/jm950028z |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 1 | Ki | 410.0 | nM | 10.1021/jm800865a |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 2 | Ki | 1220.0 | nM | 10.1021/jm800865a |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 3 | Ki | 19000.0 | nM | 10.1021/jm800865a |
| Rattus norvegicus | Glutamate receptor ionotropic, AMPA 4 | Ki | 14200.0 | nM | 10.1021/jm800865a |
| Rattus norvegicus | Glutamate receptor ionotropic, kainate | IC50 | 97000.0 | nM | 10.1021/jm950028z |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 1 | Ki | 100000.0 | nM | 10.1021/jm800865a |
| Rattus norvegicus | Glutamate receptor ionotropic kainate 2 | Ki | 1000000.0 | nM | 10.1021/jm800865a |
| None | ADMET | pKa | 9.3 | None | 10.1021/jm950028z |