Compound Detail
CHEMBL2315496
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2315496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZFCMBFLUIFMQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
3.54
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA desaturase 1 CHEMBL5424 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1288.0 | ng/g.hr | Rattus norvegicus |
| Cmax | 579.0 | ng/g | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA desaturase 1 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of rat SCD1 by rat microsomal assay | 23265904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265904 | 10.1016/j.bmcl.2012.11.075 | Rattus norvegicus | 2 |
| 23265904 | 10.1016/j.bmcl.2012.11.075 | Liver | 1 |
| 23265904 | 10.1016/j.bmcl.2012.11.075 | Plasma | 1 |
| 23265904 | 10.1016/j.bmcl.2012.11.075 | Acyl-CoA desaturase 1 | 1 |
Data from ChEMBL 36 via Core Engine