Compound Detail
CHEMBL111841
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Basic Information
| ChEMBL ID | CHEMBL111841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZQIEDOAGLXZGR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
5.26
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.25
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.26 | 6.26 | 549.5 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.25 | 5.25 | 5623.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 549.54 | nM | 6.26 | Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR ... | 10612594 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5623.41 | nM | 5.25 | Transcriptional activation of peroxisome proliferator activated receptor gamma | 10612594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612594 | 10.1016/s0960-894x(99)00603-4 | Peroxisome proliferator-activated receptor gamma | 2 |
| 10612594 | 10.1016/s0960-894x(99)00603-4 | Peroxisome proliferator-activated receptor alpha | 1 |
| 10612594 | 10.1016/s0960-894x(99)00603-4 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine