Compound Detail
CHEMBL475682
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O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2Cl)CN1C(=O)Nc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL475682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHQCLZQPIFXEDT-QDPGVEIFSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
564.4
MW (Da)
4.67
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.16 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 2.9 | hr | Rattus norvegicus |
| T1/2 | 0.8 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 0.02 | nM | 10.7 | 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 |
| 19231206 | 10.1016/j.bmc.2009.01.063 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine