Compound Detail
CHEMBL341704
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Basic Information
| ChEMBL ID | CHEMBL341704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMLQDCCTDXVYIJ-WSDLNYQXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.54
ALogP
5
HBA
2
HBD
86.3
PSA (Ų)
0.21
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL3084 | EC50 | 6.53 | 6.53 | 294.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 5.72 | 5.72 | 1897.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma | EC50 | = | 42.0 | nM | 7.38 | Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor R... | 10543887 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 294.0 | nM | 6.53 | Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor R... | 10543887 |
| Retinoic acid receptor RXR-beta | EC50 | = | 1897.0 | nM | 5.72 | Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor R... | 10543887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543887 | 10.1021/jm990292i | SCC-2 | 1 |
| 10543887 | 10.1021/jm990292i | SCC-38 | 1 |
| 10543887 | 10.1021/jm990292i | Retinoic acid receptor alpha | 1 |
| 10543887 | 10.1021/jm990292i | Retinoic acid receptor beta | 1 |
| 10543887 | 10.1021/jm990292i | Retinoic acid receptor gamma | 1 |
| 10543887 | 10.1021/jm990292i | Retinoic acid receptor RXR-alpha | 1 |
| 10543887 | 10.1021/jm990292i | Retinoic acid receptor RXR-beta | 1 |
| 10543887 | 10.1021/jm990292i | Retinoic acid receptor RXR-gamma | 1 |
Data from ChEMBL 36 via Core Engine