Compound Detail
CHEMBL176157
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Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL176157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEHHJCXFVJSRRN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
510.4
MW (Da)
3.46
ALogP
9
HBA
3
HBD
159.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 7.7 | nM | 8.11 | Binding affinity against human Coagulation factor Xa | 15771420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771420 | 10.1021/jm0497949 | Coagulation factor X | 1 |
| 15771420 | 10.1021/jm0497949 | Prothrombin | 1 |
| 15771420 | 10.1021/jm0497949 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine