Compound Detail
CHEMBL447195
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Basic Information
| ChEMBL ID | CHEMBL447195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIIGOEQLTUBSCN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
3.74
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Blood CHEMBL613416 | IC50 | 5.22 | 5.09 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Blood | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of arachidonic acid-induced platelet aggregation in human blood after... | 18407506 |
| Blood | IC50 | = | 11100.0 | nM | 4.96 | Inhibition of thrombin-induced platelet aggregation in human blood after 3 mins ... | 18407506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18407506 | 10.1016/j.bmc.2008.03.071 | Blood | 4 |
Data from ChEMBL 36 via Core Engine