Compound Detail
CHEMBL401958
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)CCN(C)C(=O)CN([C@H]1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL401958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFPYFZSONUSAQK-PMERELPUSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
668.2
MW (Da)
3.99
ALogP
7
HBA
0
HBD
103.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.8 | 10.8 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.83 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 4.0 | % | Canis lupus familiaris |
| T1/2 | 6.45 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.016 | nM | 10.8 | Inhibition of human factor 10a | 18329876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Canis familiaris | 3 |
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Unchecked | 2 |
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Coagulation factor X | 1 |
| 18329876 | 10.1016/j.bmcl.2008.02.054 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine