Compound Detail
CHEMBL6034162
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Cc1cc(-c2ccc3cc(F)ccc3c2)ccc1C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C(=O)C2(C)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL6034162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGGFOWOZOIDBCJ-OAQYLSRUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
5.97
ALogP
3
HBA
0
HBD
53.0
PSA (Ų)
0.42
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
| Fatty acid synthase CHEMBL4158 | IC50 | 7.37 | 7.37 | 42.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25.1 | nM | 7.6 | Fatty Acid Synthase Keto-reductase Domain (FASN KR) Inhibition: 10 μL assay buff... | - |
| Fatty acid synthase | IC50 | = | 42.7 | nM | 7.37 | Fatty Acid Synthase (FASN) Inhibition Scintillation Proximity Assay: In this ass... | - |
| Fatty acid synthase | IC50 | = | 42.7 | nM | 7.37 | Inhibition Scintillation Proximity Assay: In this assay, inhibition of FASN acti... | - |
Data from ChEMBL 36 via Core Engine