Compound Detail
CHEMBL3753029
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Basic Information
| ChEMBL ID | CHEMBL3753029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLHSDMSJYICRBU-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
5.14
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.55 | 4.55 | 28400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 28400.0 | nM | 4.55 | Transactivation of human PPARalpha expressed in HEK293 cells incubated for 18 hr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32206235 | 10.1039/C9MD00286C | No relevant target | 13 |
| - | 10.1039/C5MD00151J | Peroxisome proliferator-activated receptor alpha | 2 |
| - | 10.1039/C5MD00151J | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.1039/C5MD00151J | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine