Compound Detail
CHEMBL380829
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Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCNCC4)cc3F)cc12
Basic Information
| ChEMBL ID | CHEMBL380829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMOHJEKAKRIFLF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
579.6
MW (Da)
5.08
ALogP
8
HBA
3
HBD
114.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.94 | 8.94 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.14 | nM | 8.94 | Binding affinity to human factor 10a | 16434195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16434195 | 10.1016/j.bmcl.2006.01.010 | Coagulation factor X | 1 |
| 16434195 | 10.1016/j.bmcl.2006.01.010 | Caco-2 | 1 |
| 16434195 | 10.1016/j.bmcl.2006.01.010 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine