Compound Detail
CHEMBL401138
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Basic Information
| ChEMBL ID | CHEMBL401138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGJLYPGRKUGIC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.2
MW (Da)
4.42
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Blood CHEMBL613416 | IC50 | 6.0 | 5.56 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 800.0 | nM | 6.1 | Anticoagulant activity assessed as inhibition of arachidonic acid induced rabbit... | 17197180 |
| Blood | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of arachidonic acid-induced platelet aggregation in human blood after... | 18407506 |
| Blood | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of thrombin-induced platelet aggregation in human blood after 3 mins ... | 18407506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17197180 | 10.1016/j.bmcl.2006.12.038 | NON-PROTEIN TARGET | 4 |
| 18407506 | 10.1016/j.bmc.2008.03.071 | Blood | 4 |
Data from ChEMBL 36 via Core Engine