Compound Detail
CHEMBL209483
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CN(C)Cc1ccccc1-c1ccc(N2CC=Cc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL209483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCFMODQXICCLMX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
6.02
ALogP
7
HBA
1
HBD
93.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.6 | nM | 9.22 | Binding affinity to human F10a | 16730984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16730984 | 10.1016/j.bmcl.2006.02.069 | Coagulation factor VII/tissue factor | 1 |
| 16730984 | 10.1016/j.bmcl.2006.02.069 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine