Compound Detail
CHEMBL148341
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCOc2ccc([N+](=O)[O-])cn2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL148341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMDKQXZISRXZRU-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
4.79
ALogP
8
HBA
2
HBD
140.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 7.04 | 7.04 | 91.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 91.2 | nM | 7.04 | Inhibition by 50% of in vitro binding to Peroxisome proliferator activated recep... | 9836621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836621 | 10.1021/jm980413z | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine