Compound Detail
CHEMBL518507
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Basic Information
| ChEMBL ID | CHEMBL518507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQEBGENLFNMXNZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.90
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
EC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3700.0 | nM | 5.43 | Agonist activity at human PPARgamma-LBD expressed in COS7 cells co-transfected w... | 20503989 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 3700.0 | nM | 5.43 | Activation of human PPARgamma ligand binding domain expressed in COS7 cells by l... | 25037914 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of 5-lipoxygenase-mediated 5(S)-H(p)ETE formation in fMLP-stimulated ... | 21591611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21591611 | 10.1021/jm200092b | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
| 20503989 | 10.1021/jm1003073 | Unchecked | 2 |
| 20503989 | 10.1021/jm1003073 | Peroxisome proliferator-activated receptor gamma | 2 |
| 21591611 | 10.1021/jm200092b | Prostaglandin E synthase | 2 |
| 19053751 | 10.1021/jm801085s | Prostaglandin E synthase | 1 |
| 19053751 | 10.1021/jm801085s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19053751 | 10.1021/jm801085s | Prostaglandin G/H synthase 1 | 1 |
| 19053751 | 10.1021/jm801085s | Prostaglandin G/H synthase 2 | 1 |
| 20503989 | 10.1021/jm1003073 | Prostaglandin G/H synthase 2 | 1 |
| 20503989 | 10.1021/jm1003073 | Prostaglandin G/H synthase 1 | 1 |
| 20503989 | 10.1021/jm1003073 | CHO | 1 |
| 20503989 | 10.1021/jm1003073 | Peroxisome proliferator-activated receptor delta | 1 |
| 20503989 | 10.1021/jm1003073 | Peroxisome proliferator-activated receptor alpha | 1 |
| 25037914 | 10.1016/j.bmcl.2014.06.077 | Peroxisome proliferator-activated receptor alpha | 1 |
| 25037914 | 10.1016/j.bmcl.2014.06.077 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine