Compound Detail
CHEMBL254621
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Nc1noc2ccc(-n3nc(C(F)(F)F)c4ccc(-c5ccc(N6CCCCC6=O)cc5F)c(F)c43)cc12
Basic Information
| ChEMBL ID | CHEMBL254621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAIIWGDOICMHHK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
6.23
ALogP
6
HBA
1
HBD
90.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.64 | 7.64 | 22.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 22.9 | nM | 7.64 | Inhibition of human factor 10a | 18159923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18159923 | 10.1021/jm701217r | Unchecked | 1 |
| 18159923 | 10.1021/jm701217r | Coagulation factor X | 1 |
| 18159923 | 10.1021/jm701217r | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine