Compound Detail
CHEMBL476618
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CCO[C@]1(CC)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL476618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWNXIUNQIATKBA-YIXXDRMTSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.0
MW (Da)
5.06
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.45
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 0.05 | nM | 10.3 | Inhibition of human Factor-10a | 19231206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19231206 | 10.1016/j.bmc.2009.01.063 | Coagulation factor X | 1 |
| 19231206 | 10.1016/j.bmc.2009.01.063 | Rattus norvegicus | 1 |
| 19231206 | 10.1016/j.bmc.2009.01.063 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine