Compound Detail
CHEMBL39176
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Basic Information
| ChEMBL ID | CHEMBL39176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWIQCLSQVQBOQV-AAEUAGOBSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
0.47
ALogP
4
HBA
5
HBD
145.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
EC50 1 meas. best 4.08
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.06 | 5.06 | 8670.0 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.08 | 4.08 | 83400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 8670.0 | nM | 5.06 | Antagonist activity at human PPARgamma receptor expressed in Saccharomyces cerev... | 18329752 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 8670.0 | nM | 5.06 | Antagonist activity at PPARgamma (unknown origin) | 24821375 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 83400.0 | nM | 4.08 | Agonist activity at PPARalpha LBD (unknown origin) assessed as induction of PGC1... | 24821375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24821375 | 10.1016/j.bmcl.2014.04.019 | Peroxisome proliferator-activated receptor alpha | 18 |
| 24821375 | 10.1016/j.bmcl.2014.04.019 | Molecular identity unknown | 4 |
| 18329752 | 10.1016/j.ejmech.2008.01.032 | Peroxisome proliferator-activated receptor gamma | 2 |
| 3656360 | 10.1021/jm00393a031 | Unchecked | 1 |
| 3656360 | 10.1021/jm00393a031 | No relevant target | 1 |
| 7629809 | 10.1021/jm00014a022 | Unchecked | 1 |
| 9873385 | 10.1016/s0960-894x(98)00259-5 | Dipeptidyl peptidase 4 | 1 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 1 |
| 24821375 | 10.1016/j.bmcl.2014.04.019 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine