{[hydroxy({[hydroxy({[4-hydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
AlkaPlorer ID: AK094089
Synonym: None
IUPAC Name: [[(2S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Structure
SMILES: N=C1N=C(O)C2=C(N1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]1O)C=N2
InChI: InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
InChIKey: QGYIFQKZZSSUCR-OBXARNEKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 507.1820000000001
TPSA？: 279.8599999999999
MolLogP？: -1.0638300000000007
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclic GMP-AMP synthase | Drug metabolism | 0.0 | % | 10.1021/acs.jmedchem.9b01062 |
| Homo sapiens | Cyclic GMP-AMP synthase | Drug metabolism | nan | None | 10.1021/acs.jmedchem.9b01062 |
| Mus musculus | Cyclic GMP-AMP synthase | Drug metabolism | 17.0 | % | 10.1021/acs.jmedchem.9b01062 |
| Mus musculus | Cyclic GMP-AMP synthase | Drug metabolism | nan | None | 10.1021/acs.jmedchem.9b01062 |
| None | Unchecked | Activity | nan | None | 10.1128/aac.00186-07 |
| None | Unchecked | Drug metabolism | 0.0 | % | 10.1021/acs.jmedchem.9b01062 |
| None | Unchecked | Drug metabolism | nan | None | 10.1021/acs.jmedchem.9b01062 |
| None | Unchecked | IC50 | 20.0 | nM | 10.1021/np200715v |
| None | Unchecked | IC50 | 20.0 | nM | 10.1021/np300059n |
| None | Unchecked | IC50 | 1000.0 | nM | 10.1021/np200715v |
| None | Unchecked | IC50 | 16000.0 | nM | 10.1021/acs.jmedchem.8b00617 |