Compound Detail
CHEMBL387790
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CS(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL387790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REJFMXQKKLHEJI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
2.88
ALogP
5
HBA
2
HBD
124.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human factor 10a | 17416533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17416533 | 10.1016/j.bmc.2007.03.066 | Unchecked | 2 |
| 17416533 | 10.1016/j.bmc.2007.03.066 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine