Compound Detail
CHEMBL1642823
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CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](Cc1ccc2[nH]ccc2c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1642823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXZWDFGJPUWZIU-SFTDATJTSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.17
ALogP
3
HBA
2
HBD
76.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.7 | 6.4 | 198.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 198.0 | nM | 6.7 | Antiplatelet activity against pig platelet assessed as inhibition of ADP-induced... | 21193315 |
| NON-PROTEIN TARGET | IC50 | = | 322.4 | nM | 6.49 | Antiplatelet activity against pig platelet assessed as inhibition of arachidonic... | 21193315 |
| NON-PROTEIN TARGET | IC50 | = | 577.8 | nM | 6.24 | Antiplatelet activity against pig platelet assessed as inhibition of PAF-induced... | 21193315 |
| NON-PROTEIN TARGET | IC50 | = | 672.1 | nM | 6.17 | Antiplatelet activity against pig platelet assessed as inhibition of thrombin-in... | 21193315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21193315 | 10.1016/j.bmc.2010.12.005 | NON-PROTEIN TARGET | 4 |
| 21193315 | 10.1016/j.bmc.2010.12.005 | Aorta | 1 |
| 21193315 | 10.1016/j.bmc.2010.12.005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine