Compound Detail
CHEMBL245679
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CN1CCc2nc(C(=O)N[C@@H]3CCCCC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
Basic Information
| ChEMBL ID | CHEMBL245679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEOAGFMSNBEWDM-ZWKOTPCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.0
MW (Da)
4.13
ALogP
5
HBA
3
HBD
90.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 175.0 | nM | 6.76 | Inhibition of human factor 10a after 10 seconds | 17555959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17555959 | 10.1016/j.bmcl.2007.05.068 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine