Compound Detail
CHEMBL94954
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL94954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVTQRSDLGBOKCF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.85
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.33 | 36700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 36700.0 | nM | 4.43 | In vitro inhibition of Collagen (10 ug/mL) induced platelet aggregatory activity... | 12873516 |
| Unchecked | IC50 | = | 59200.0 | nM | 4.23 | Inhibitory concentration required against Arachidonic acid (100 uM) induced plat... | 12873516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873516 | 10.1016/s0960-894x(03)00477-3 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine