Compound Detail
CHEMBL3326390
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Basic Information
| ChEMBL ID | CHEMBL3326390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXQJVRXDPOYTNZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.50
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.2
IC50 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | EC50 | 5.2 | 5.2 | 6380.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 5.13 | 5.13 | 7390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | EC50 | = | 6380.0 | nM | 5.2 | Induction of ABCA1 transcriptional activity in ABCA1p-LUC human HepG2 cells asse... | 25147608 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 7390.0 | nM | 5.13 | Inhibition of human FAAH by fluorescence-based cayman assay | 38325006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147608 | 10.1021/ml500131a | HepG2 | 2 |
| 38325006 | 10.1016/j.ejmech.2024.116208 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 38325006 | 10.1016/j.ejmech.2024.116208 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine