Compound Detail
CHEMBL394681
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Basic Information
| ChEMBL ID | CHEMBL394681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWOBFTBMBKGBKH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
2.88
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.87 | 11500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11500.0 | nM | 4.94 | Inhibition of collagen-induced platelet aggregation in human platelet preincubat... | 32155530 |
| Unchecked | IC50 | = | 15780.0 | nM | 4.8 | Inhibition of TRAP6-induced platelet aggregation in human platelet preincubated ... | 32155530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17845855 | 10.1016/j.bmc.2007.07.013 | Unchecked | 4 |
| 32155530 | 10.1016/j.ejmech.2020.112187 | Unchecked | 3 |
| 17845855 | 10.1016/j.bmc.2007.07.013 | No relevant target | 1 |
| 32155530 | 10.1016/j.ejmech.2020.112187 | Platelet | 1 |
Data from ChEMBL 36 via Core Engine