Compound Detail
CHEMBL2336438
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Basic Information
| ChEMBL ID | CHEMBL2336438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNBGYCINYDYMSE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.38
ALogP
7
HBA
1
HBD
54.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.4367 | 26000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Antiplatelet activity against collagen ADP-induced platelet aggregation in human... | 23425969 |
| NON-PROTEIN TARGET | IC50 | = | 31000.0 | nM | 4.51 | Antiplatelet activity against collagen collagen-induced platelet aggregation in ... | 23425969 |
| NON-PROTEIN TARGET | IC50 | = | 60000.0 | nM | 4.22 | Antiplatelet activity against collagen A23187-induced platelet aggregation in hu... | 23425969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23425969 | 10.1016/j.ejmech.2013.01.026 | NON-PROTEIN TARGET | 3 |
Data from ChEMBL 36 via Core Engine