Compound Detail
CHEMBL5918198
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
CC1(c2ccccc2)N=C(c2ccc(-c3ccc4occc4c3)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O
Basic Information
| ChEMBL ID | CHEMBL5918198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEDSEHJIDLELRZ-LWMFVPLKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
5.86
ALogP
4
HBA
0
HBD
66.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL4158 | IC50 | 6.81 | 6.81 | 155.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 537.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 155.0 | nM | 6.81 | Fatty Acid Synthase (FASN) Inhibition Scintillation Proximity Assay: In this ass... | - |
| Fatty acid synthase | IC50 | = | 155.0 | nM | 6.81 | Inhibition Scintillation Proximity Assay: In this assay, inhibition of FASN acti... | - |
| Unchecked | IC50 | = | 537.0 | nM | 6.27 | Fatty Acid Synthase Keto-reductase Domain (FASN KR) Inhibition: 10 μL assay buff... | - |
Data from ChEMBL 36 via Core Engine