Compound Detail
CHEMBL139536
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Basic Information
| ChEMBL ID | CHEMBL139536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZHWLPKXASYCHY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
5.28
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 7.17 | 7.17 | 68.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL3084 | EC50 | 7.08 | 7.08 | 84.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.82 | 6.82 | 152.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.65 | 6.65 | 225.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 6.52 | 6.52 | 302.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 6.0 | 6.0 | 1004.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta | EC50 | = | 68.0 | nM | 7.17 | Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor R... | 10543887 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 84.0 | nM | 7.08 | Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor R... | 10543887 |
| Retinoic acid receptor gamma | EC50 | = | 152.0 | nM | 6.82 | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor... | 10543887 |
| Retinoic acid receptor alpha | EC50 | = | 225.0 | nM | 6.65 | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor... | 10543887 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 302.0 | nM | 6.52 | Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor R... | 10543887 |
| Retinoic acid receptor beta | EC50 | = | 1004.0 | nM | 6.0 | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor... | 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