Compound Detail
CHEMBL4874614
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CN(C(=O)F)c1ccn2c(=O)c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(C(F)(F)F)nc2c1
Basic Information
| ChEMBL ID | CHEMBL4874614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFCNUSBTDRVBSM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.3
MW (Da)
4.30
ALogP
6
HBA
0
HBD
72.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA (8-3)-desaturase CHEMBL5840 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA (8-3)-desaturase | IC50 | = | 1.6 | nM | 8.8 | Inhibition of Delta-5-desaturase (unknown origin) expressed in HEK2936E cell mem... | 34413950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413950 | 10.1021/acsmedchemlett.1c00394 | Acyl-CoA (8-3)-desaturase | 1 |
Data from ChEMBL 36 via Core Engine