Compound Detail
CHEMBL164811
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CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1
Basic Information
| ChEMBL ID | CHEMBL164811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWSMOXWWSLFSCL-FSDSQADBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
0.40
ALogP
10
HBA
5
HBD
198.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 420.0 | nM | 6.38 | Inhibition of ADP-induced activation of rat platelets using aggregometry | 12477353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477353 | 10.1021/jm020173u | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine