Compound Detail
CHEMBL501183
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CN1CCc2nc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
Basic Information
| ChEMBL ID | CHEMBL501183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYXRTQKTSABROA-XZOAIXRZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
516.0
MW (Da)
3.05
ALogP
6
HBA
4
HBD
127.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human factor 10a | 18675545 |
| Rattus norvegicus | IC50 | = | 16.0 | nM | 7.8 | Inhibition of factor 10a in plasma of po dosed Wistar rat | 18675545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18675545 | 10.1016/j.bmcl.2008.07.031 | Plasma | 2 |
| 18675545 | 10.1016/j.bmcl.2008.07.031 | Rattus norvegicus | 2 |
| 18675545 | 10.1016/j.bmcl.2008.07.031 | Coagulation factor X | 1 |
| 18675545 | 10.1016/j.bmcl.2008.07.031 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine