Compound Detail
CHEMBL93577
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Basic Information
| ChEMBL ID | CHEMBL93577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXPNPFPVJPLLLG-JLHYYAGUSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
5.75
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.76
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 7.34 | 7.34 | 46.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | EC50 | = | 34.0 | nM | 7.47 | Agonist activity for retinoic acid receptor RAR gamma in transcriptional activat... | - |
| Retinoic acid receptor beta | EC50 | = | 46.0 | nM | 7.34 | Agonist activity for retinoic acid receptor RAR beta in transcriptional activati... | - |
| Retinoic acid receptor RXR-gamma | EC50 | = | 160.0 | nM | 6.8 | Agonist activity for retinoic acid receptor RXR gamma in transcriptional activat... | - |
| Retinoic acid receptor alpha | EC50 | = | 210.0 | nM | 6.68 | Agonist activity for retinoic acid receptor RAR alpha in transcriptional activat... | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 210.0 | nM | 6.68 | Agonist activity for retinoic acid receptor RXR alpha in transcriptional activat... | - |
| Retinoic acid receptor RXR-beta | EC50 | = | 210.0 | nM | 6.68 | Agonist activity for retinoic acid receptor RXR beta in transcriptional activati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00455-3 | Retinoic acid receptor alpha | 1 |
| - | 10.1016/0960-894X(95)00455-3 | Retinoic acid receptor beta | 1 |
| - | 10.1016/0960-894X(95)00455-3 | Retinoic acid receptor gamma | 1 |
| - | 10.1016/0960-894X(95)00455-3 | Retinoic acid receptor RXR-alpha | 1 |
| - | 10.1016/0960-894X(95)00455-3 | Retinoic acid receptor RXR-beta | 1 |
| - | 10.1016/0960-894X(95)00455-3 | Retinoic acid receptor RXR-gamma | 1 |
Data from ChEMBL 36 via Core Engine