Compound Detail
CHEMBL5206512
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Basic Information
| ChEMBL ID | CHEMBL5206512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBWUUVVUXKTOAW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.8
MW (Da)
5.27
ALogP
6
HBA
1
HBD
111.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.17 | mL.min-1.kg-1 | Homo sapiens |
| CL | 68.33 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 0.25 | nM | 9.6 | Inverse agonist activity at PPARgamma in human RT112/84-FABP4 cells assessed as ... | 36270630 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2.0 | nM | 8.7 | Inverse agonist activity at PPARgamma LBD (unknown origin) assessed as recruitme... | 36270630 |
| Unchecked | IC50 | = | 3.1 | nM | 8.51 | Antiproliferative activity against human UM-UC-9 cells measured after 7 days by ... | 36270630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Peroxisome proliferator-activated receptor gamma | 4 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Unchecked | 2 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | ADMET | 2 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine