Compound Detail
CHEMBL260369
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COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(-n2ccccc2=O)nc1
Basic Information
| ChEMBL ID | CHEMBL260369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCEORBKVWCVUFX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
510.3
MW (Da)
4.45
ALogP
7
HBA
2
HBD
115.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.62 | 9.62 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 74.0 | % | Canis lupus familiaris |
| T1/2 | 1.6 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.24 | nM | 9.62 | Inhibition of human factor 10a | 18424044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18424044 | 10.1016/j.bmcl.2008.03.092 | Canis familiaris | 4 |
| 18424044 | 10.1016/j.bmcl.2008.03.092 | Coagulation factor X | 1 |
| 18424044 | 10.1016/j.bmcl.2008.03.092 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine