Compound Detail
CHEMBL458067
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Basic Information
| ChEMBL ID | CHEMBL458067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXSSTHWNSPWUIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
1.78
ALogP
6
HBA
5
HBD
162.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.7 | ml/min | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| F | 38.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 51.0 | nM | 7.29 | Inhibition of human factor 10a by Dixon-plot method | 18667303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Rattus norvegicus | 2 |
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Coagulation factor X | 1 |
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Plasma | 1 |
| 18667303 | 10.1016/j.bmcl.2008.07.009 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine