Compound Detail
CHEMBL523549
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CONC(=O)CCn1c(=O)c(-c2ccc(OC)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21
Basic Information
| ChEMBL ID | CHEMBL523549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTNOPOHUVVFYER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
4.17
ALogP
8
HBA
2
HBD
107.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 930.0 | nM | 6.03 | 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