Compound Detail
CHEMBL579107
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NC(=O)c1nn(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c2c1CCN(c1ccc(-c3ccccc3CN3CCCC3)cc1)C2=O
Basic Information
| ChEMBL ID | CHEMBL579107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDKLFZCQLLSCKU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
3.52
ALogP
7
HBA
3
HBD
146.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.25 | nM | 9.6 | Inhibition of human factor 10a | 20100660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Coagulation factor X | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Prothrombin | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Plasma | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine