Compound Detail
CHEMBL386246
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Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4CNC(C)C)cc3)cnc12
Basic Information
| ChEMBL ID | CHEMBL386246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPAAVCQGCYUBJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
4.77
ALogP
9
HBA
2
HBD
116.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.5 | nM | 8.82 | Binding affinity to human f10a | 16870435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870435 | 10.1016/j.bmcl.2006.07.002 | Coagulation factor X | 2 |
| 16870435 | 10.1016/j.bmcl.2006.07.002 | Coagulation factor VII/tissue factor | 1 |
Data from ChEMBL 36 via Core Engine