Compound Detail
CHEMBL214462
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Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(=O)n(-c5ccc(-c6ccccc6CN6CC[C@@H](O)C6)cc5)c(=O)c43)cc12
Basic Information
| ChEMBL ID | CHEMBL214462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWMNBFIQJQJQJW-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.6
MW (Da)
3.84
ALogP
10
HBA
3
HBD
148.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.11 | nM | 9.96 | 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