None
AlkaPlorer ID: AK323241
Synonym: None
IUPAC Name: [(1R,2S)-1-(2-amino-4-oxo-3H-pteridin-6-yl)-1-sulfooxypropan-2-yl] hydrogen sulfate
Structure
SMILES: C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C1=CN=C2NC(=N)N=C(O)C2=N1
InChI: InChI=1S/C9H11N5O9S2/c1-3(22-24(16,17)18)6(23-25(19,20)21)4-2-11-7-5(12-4)8(15)14-9(10)13-7/h2-3,6H,1H3,(H,16,17,18)(H,19,20,21)(H3,10,11,13,14,15)/t3-,6-/m0/s1
InChIKey: IDPNOXFZJYIENF-DZSWIPIPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 397.3470000000001
TPSA？: 225.74
MolLogP？: -1.393629999999999
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Glutamate NMDA receptor | IC50 | 1900.0 | nM | 10.1021/acs.jnatprod.0c00789 |
| None | ADMET | Activity | nan | None | 10.1021/acs.jnatprod.0c00789 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.0c00789 |
| None | Unchecked | IC50 | 680.0 | nM | 10.1021/acs.jnatprod.0c00789 |
| None | Unchecked | IC50 | 910.0 | nM | 10.1021/acs.jnatprod.0c00789 |