Compound Detail
CHEMBL475481
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Cc1cccc([C@@]2(O)C[C@H](C(=O)Nc3ccc(-n4ccccc4=O)cn3)N(C(=O)Nc3ccc(Cl)cc3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL475481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWCNHTNYFFRSGG-FUFSCUOVSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.0
MW (Da)
4.33
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.78 | mL.min-1.kg-1 | Rattus norvegicus |
| 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 | = | 1.2 | nM | 8.92 | Inhibition of human Factor-10a | 19231206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19231206 | 10.1016/j.bmc.2009.01.063 | Rattus norvegicus | 3 |
| 19231206 | 10.1016/j.bmc.2009.01.063 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine