Compound Detail
CHEMBL4785781
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CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4785781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAIWQMXHIQDCFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
6.67
ALogP
5
HBA
1
HBD
78.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 9100.0 | nM | 5.04 | Agonist activity at human PPARgammaDEF receptor expressed in african green monke... | 32272420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32272420 | 10.1016/j.ejmech.2020.112258 | Unchecked | 3 |
| 33662676 | 10.1016/j.ejmech.2021.113285 | K562 | 3 |
| 32272420 | 10.1016/j.ejmech.2020.112258 | Peroxisome proliferator-activated receptor gamma | 2 |
| 32272420 | 10.1016/j.ejmech.2020.112258 | COS-7 | 2 |
| 32272420 | 10.1016/j.ejmech.2020.112258 | Signal transducer and activator of transcription 5A | 2 |
Data from ChEMBL 36 via Core Engine