Compound Detail
CHEMBL1160361
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CCCSc1nc(NCCSC)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL1160361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPFVRNJMMNSSHX-SDBHATRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
722.4
MW (Da)
2.31
ALogP
15
HBA
7
HBD
255.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.42 | 9.42 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.3802 | nM | 9.42 | Platelet P2T receptor antagonist activity in human platelet assay | 9925726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925726 | 10.1021/jm981072s | Unchecked | 1 |
| 9925726 | 10.1021/jm981072s | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine