Compound Detail
CHEMBL367609
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NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
Basic Information
| ChEMBL ID | CHEMBL367609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKCSOJWDPJQQEU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
4.55
ALogP
5
HBA
3
HBD
131.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.17 | 8.17 | 6.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 35.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 6.7 | nM | 8.17 | Inhibitory concentration against coagulation factor Xa. | 15013006 |
| Coagulation factor X | IC50 | = | 6.7 | nM | 8.17 | Inhibition of Factor 10a | 19297158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013006 | 10.1016/j.bmcl.2003.11.079 | Coagulation factor X | 2 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Plasma | 1 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Rattus norvegicus | 1 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine