Compound Detail
CHEMBL107039
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Basic Information
| ChEMBL ID | CHEMBL107039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMBRTFQBQGEDHH-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
5.37
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.83
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.62 | 5.62 | 2400.0 | 2 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 2400.0 | nM | 5.62 | Ability to activate gene expression at Retinoic acid receptor RXR-alpha was eval... | 7636877 |
| Retinoic acid receptor RXR-beta | EC50 | = | 2400.0 | nM | 5.62 | Ability to activate gene expression at Retinoic acid receptor RXR-beta was evalu... | 7636877 |
| Retinoic acid receptor RXR-beta | EC50 | = | 2400.0 | nM | 5.62 | Agonist activity at RXRbeta (unknown origin) | 28850227 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 2400.0 | nM | 5.62 | Agonist activity at RXRaplha (unknown origin) | 28850227 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 2600.0 | nM | 5.58 | Ability to activate gene expression at Retinoic acid receptor RXR-gamma was eval... | 7636877 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 2600.0 | nM | 5.58 | Agonist activity at RXRgamma (unknown origin) | 28850227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636877 | 10.1021/jm00016a018 | Retinoic acid receptor RXR-alpha | 2 |
| 7636877 | 10.1021/jm00016a018 | Retinoic acid receptor RXR-beta | 2 |
| 7636877 | 10.1021/jm00016a018 | Retinoic acid receptor RXR-gamma | 2 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Retinoic acid receptor RXR-gamma | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Retinoic acid receptor RXR-beta | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Retinoic acid receptor RXR-alpha | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Retinoic acid receptor alpha | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Retinoic acid receptor beta | 1 |
| 28850227 | 10.1021/acs.jmedchem.7b00315 | Retinoic acid receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine