Compound Detail
CHEMBL132168
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CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL132168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJLQVCQPLCNSLZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
5.50
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9100.0 | nM | 5.04 | In vitro inhibition of thrombin-induced platelet aggregation. | 7837237 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor. | 7837237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837237 | 10.1021/jm00001a008 | Unchecked | 1 |
| 7837237 | 10.1021/jm00001a008 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine