Compound Detail
CHEMBL383607
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Basic Information
| ChEMBL ID | CHEMBL383607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQZGJLBUDDOOFW-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1207269 |
| Active Moiety | CHEMBL1207269 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
4.49
ALogP
4
HBA
2
HBD
79.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.94
Ki 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.94 | 6.94 | 114.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.21 | 6.21 | 617.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.02 | 6.02 | 947.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 114.0 | nM | 6.94 | In vitro effective concentration against human peroxisome proliferator activated... | 16137885 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 617.0 | nM | 6.21 | In vitro effective concentration against human peroxisome proliferator activated... | 16137885 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 947.0 | nM | 6.02 | Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] ... | 16137885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137885 | 10.1016/j.bmcl.2005.07.049 | Peroxisome proliferator-activated receptor gamma | 3 |
| 16137885 | 10.1016/j.bmcl.2005.07.049 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine