Compound Detail
CHEMBL4436335
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Basic Information
| ChEMBL ID | CHEMBL4436335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWEDOTNITCBNCO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
5.75
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.34 | 6.34 | 457.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at PPARbeta (unknown origin) incubated for 3 to 16 hrs by pathh... | 31312410 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 27.0 | nM | 7.57 | Agonist activity at PPARalpha (unknown origin) incubated for 3 to 16 hrs by path... | 31312410 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 457.0 | nM | 6.34 | Agonist activity at PPARgamma (unknown origin) incubated for 3 to 16 hrs by path... | 31312410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31312410 | 10.1021/acsmedchemlett.9b00189 | Peroxisome proliferator-activated receptor alpha | 3 |
| 31312410 | 10.1021/acsmedchemlett.9b00189 | Peroxisome proliferator-activated receptor gamma | 2 |
| 31312410 | 10.1021/acsmedchemlett.9b00189 | Peroxisome proliferator-activated receptor delta | 2 |
| 31312410 | 10.1021/acsmedchemlett.9b00189 | PPAR delta/gamma | 1 |
| 31312410 | 10.1021/acsmedchemlett.9b00189 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine