Compound Detail
CHEMBL261774
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O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2cccc3ncc(CO)n23)CC1
Basic Information
| ChEMBL ID | CHEMBL261774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMFCHRLHECFNFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
3.15
ALogP
7
HBA
1
HBD
95.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 29.0 | nM | 7.54 | Inhibition of human factor 10a | 18164204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18164204 | 10.1016/j.bmc.2007.12.024 | Plasma | 2 |
| 18164204 | 10.1016/j.bmc.2007.12.024 | Coagulation factor X | 1 |
| 18164204 | 10.1016/j.bmc.2007.12.024 | Cytochrome P450 3A4 | 1 |
| 18164204 | 10.1016/j.bmc.2007.12.024 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine