Compound Detail
CHEMBL1254667
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Basic Information
| ChEMBL ID | CHEMBL1254667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYUSMRSYJFQLIO-MBNYWOFBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
2.07
ALogP
8
HBA
3
HBD
96.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | Ki | 5.72 | 5.72 | 1910.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.41 | 5.41 | 3890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | Ki | = | 1910.0 | nM | 5.72 | Binding affinity to PPAR-delta (unknown origin) by TR-FRET assay | 33325691 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 3890.0 | nM | 5.41 | Binding affinity to PPAR-gamma (unknown origin) by TR-FRET assay | 33325691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33325691 | 10.1021/acs.jmedchem.0c01874 | Peroxisome proliferator-activated receptor delta | 3 |
| 33325691 | 10.1021/acs.jmedchem.0c01874 | Peroxisome proliferator-activated receptor gamma | 2 |
| 20826090 | 10.1016/j.bmc.2010.08.018 | Adenosine receptor A3 | 1 |
| 20826090 | 10.1016/j.bmc.2010.08.018 | Adenosine receptor A2a | 1 |
| 20826090 | 10.1016/j.bmc.2010.08.018 | Adenosine receptor A1 | 1 |
| 33325691 | 10.1021/acs.jmedchem.0c01874 | Adenosine receptor A3 | 1 |
| 33325691 | 10.1021/acs.jmedchem.0c01874 | Peroxisome proliferator-activated receptor alpha | 1 |
| 33325691 | 10.1021/acs.jmedchem.0c01874 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine