Compound Detail
CHEMBL472779
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COCCOc1cc(C(=N)N(C)C)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Basic Information
| ChEMBL ID | CHEMBL472779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXUFHMXOOWIPEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.4
MW (Da)
4.81
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 1.2 | nM | 8.92 | Inhibition of Factor 10a | 19297154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19297154 | 10.1016/j.bmcl.2009.02.111 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine