Compound Detail
CHEMBL1834194
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
CN(C(=O)[C@@H]1CC[C@H](NC(=O)C(F)F)C1)c1ccc(-c2nc3ccccc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL1834194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAACVJPHWQLZDB-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
4.01
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of human FAS assessed as synthesis of long chain fatty acids from mal... | 21873051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21873051 | 10.1016/j.bmcl.2011.07.083 | Fatty acid synthase | 1 |
Data from ChEMBL 36 via Core Engine