Compound Detail
CHEMBL494402
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COc1ccc(-c2nc3cnc(NCc4ccc(Cl)c(Cl)c4)nc3n(CCNC(=O)c3ccccc3)c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL494402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNMVURAZAGPKOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
575.5
MW (Da)
5.21
ALogP
8
HBA
2
HBD
111.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | Inhibition of rat microsomal Delta-9-desaturase | 19249203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249203 | 10.1016/j.bmcl.2009.02.019 | Unchecked | 1 |
| 19249203 | 10.1016/j.bmcl.2009.02.019 | Stearoyl-CoA desaturase | 1 |
Data from ChEMBL 36 via Core Engine