Compound Detail
CHEMBL221956
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CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCC(C(=O)O)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL221956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPKPNLOCZDCPDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
583.5
MW (Da)
5.08
ALogP
6
HBA
4
HBD
138.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 0.7 | nM | 9.15 | Inhibition of Factor 10a | 19297154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931010 | 10.1016/j.bmcl.2006.08.039 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19297154 | 10.1016/j.bmcl.2009.02.111 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine