Compound Detail
CHEMBL205383
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C[N+](C)(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL205383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEONAFNAXPUEHY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1182004 |
| Active Moiety | CHEMBL1182004 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
553.5
MW (Da)
5.88
ALogP
6
HBA
2
HBD
99.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.05 | nM | 10.3 | 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