Compound Detail
CHEMBL3966335
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CCOc1cc(OC2CCN(C)CC2)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL3966335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJHGDHHSUXVKDH-OAQYLSRUSA-N |
2
Targets
14
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.22
ALogP
6
HBA
4
HBD
120.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 6.15
Kd 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL5062 | Kd | 6.85 | 6.85 | 141.3 | 1 |
| Coagulation factor X CHEMBL244 | Kd | 6.55 | 6.55 | 284.0 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 6.15 | 6.0033 | 706.0 | 12 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885741 | Coagulation factor X | 19 |
Data from ChEMBL 36 via Core Engine