Compound Detail
CHEMBL147935
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Cc1cc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)nn1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL147935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNFHQRHNEJEITQ-YTTGMZPUSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
6.14
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.43
Ki 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.43 | 8.085 | 3.7 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | Ki | 6.39 | 6.39 | 407.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 1.259 | nM | 8.9 | Inhibition by 50% of in vitro binding to Peroxisome proliferator activated recep... | 9836621 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3.715 | nM | 8.43 | Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate ... | 9836621 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 18.2 | nM | 7.74 | Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... | 9836621 |
| Peroxisome proliferator-activated receptor alpha | Ki | = | 407.38 | nM | 6.39 | Tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activa... | 9836621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836621 | 10.1021/jm980413z | Peroxisome proliferator-activated receptor gamma | 3 |
| 9836621 | 10.1021/jm980413z | Peroxisome proliferator-activated receptor alpha | 2 |
| 9836621 | 10.1021/jm980413z | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine