Compound Detail
CHEMBL5505899
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Basic Information
| ChEMBL ID | CHEMBL5505899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHBUGKAVFWXTSK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
3.92
ALogP
5
HBA
1
HBD
65.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1800.0 | nM | 5.75 | Agonist activity at human PPARalpha transfected in African green monkey COS-7 ce... | 38522113 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2000.0 | nM | 5.7 | Agonist activity at human PPARdelta transfected in African green monkey COS-7 ce... | 38522113 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5000.0 | nM | 5.3 | Agonist activity at human PPARgamma transfected in African green monkey COS-7 ce... | 38522113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38522113 | 10.1016/j.ejmech.2024.116344 | Peroxisome proliferator-activated receptor alpha | 2 |
| 38522113 | 10.1016/j.ejmech.2024.116344 | Peroxisome proliferator-activated receptor delta | 2 |
| 38522113 | 10.1016/j.ejmech.2024.116344 | Peroxisome proliferator-activated receptor gamma | 2 |
| 38522113 | 10.1016/j.ejmech.2024.116344 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine