Compound Detail
CHEMBL151750
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COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c(CN)c1
Basic Information
| ChEMBL ID | CHEMBL151750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLEIXRRRDBCOKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
563.5
MW (Da)
4.06
ALogP
7
HBA
3
HBD
142.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.06 | 9.06 | 0.9 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.88 | nM | 9.06 | Tested in vitro for inhibition of human Coagulation factor X | 14640539 |
| Prothrombin | Ki | = | 15000.0 | nM | 4.82 | In vitro for inhibition of human thrombin | 14640539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640539 | 10.1021/jm030212h | Coagulation factor X | 2 |
| 14640539 | 10.1021/jm030212h | NON-PROTEIN TARGET | 2 |
| 14640539 | 10.1021/jm030212h | Prothrombin | 1 |
| 14640539 | 10.1021/jm030212h | Serine protease 1 | 1 |
| 14640539 | 10.1021/jm030212h | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine