Compound Detail
CHEMBL242124
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Cc1ccccc1S(=O)(=O)N1CCC(N(Cc2ccc3ccc(C(=N)N)cc3c2)S(C)(=O)=O)CC1
Basic Information
| ChEMBL ID | CHEMBL242124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYAMJWISGGIZMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
3.05
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 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 950.0 | nM | 6.02 | 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