Compound Detail
CHEMBL151522
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CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CNCc2ccccc2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL151522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPTSHMWHZORQOR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
622.6
MW (Da)
6.64
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 61.0 | nM | 7.21 | Tested in vitro for inhibition of human Coagulation factor X | 14640539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640539 | 10.1021/jm030212h | Coagulation factor X | 1 |
| 14640539 | 10.1021/jm030212h | Prothrombin | 1 |
| 14640539 | 10.1021/jm030212h | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine