Compound Detail
CHEMBL282676
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N=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL282676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BELHPEGCCJLMFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
6.39
ALogP
4
HBA
2
HBD
74.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibitory activity against human coagulation factor X | 14980671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980671 | 10.1016/j.bmcl.2003.12.054 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine