Compound Detail
CHEMBL5863279
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Cn1ncc2cc(-c3ccc(C4=NC(C)(C)C(=O)N4C[C@@H]4CCN(C(=O)C5(C)CC5)C4)c(F)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5863279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNECODVNOXZDNR-GOSISDBHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.40
ALogP
5
HBA
0
HBD
70.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 7.18 | 7.18 | 66.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.17 | 7.17 | 67.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 66.1 | nM | 7.18 | Fatty Acid Synthase (FASN) Inhibition Scintillation Proximity Assay: In this ass... | - |
| Fatty acid synthase | IC50 | = | 66.1 | nM | 7.18 | Inhibition Scintillation Proximity Assay: In this assay, inhibition of FASN acti... | - |
| Unchecked | IC50 | = | 67.6 | nM | 7.17 | Fatty Acid Synthase Keto-reductase Domain (FASN KR) Inhibition: 10 μL assay buff... | - |
Data from ChEMBL 36 via Core Engine