Compound Detail
CHEMBL25244
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL25244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDSXVZMDVWIEJZ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
6.88
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.89
Kd 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 7.3 | 7.3 | 50.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | Kd | 6.82 | 6.82 | 150.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | Kd | 6.8 | 6.8 | 160.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Kd | = | 50.0 | nM | 7.3 | Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a ... | 7636877 |
| Retinoic acid receptor RXR-beta | EC50 | = | 130.0 | nM | 6.89 | Ability to activate gene expression at Retinoic acid receptor RXR-beta was evalu... | 7636877 |
| Retinoic acid receptor RXR-gamma | Kd | = | 150.0 | nM | 6.82 | Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competit... | 7636877 |
| Retinoic acid receptor RXR-beta | Kd | = | 160.0 | nM | 6.8 | Binding affinity to Retinoic acid receptor RXR-beta was determined in a competit... | 7636877 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 240.0 | nM | 6.62 | Ability to activate gene expression at Retinoic acid receptor RXR-gamma was eval... | 7636877 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 300.0 | nM | 6.52 | Ability to activate gene expression at Retinoic acid receptor RXR-alpha was eval... | 7636877 |
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 |
| 10890152 | 10.1016/s0960-894x(00)00243-2 | Retinoic acid receptor alpha | 2 |
| 10890152 | 10.1016/s0960-894x(00)00243-2 | Retinoic acid receptor beta | 2 |
| 10890152 | 10.1016/s0960-894x(00)00243-2 | Retinoic acid receptor gamma | 2 |
| 10890152 | 10.1016/s0960-894x(00)00243-2 | Retinoic acid receptor RXR-alpha | 2 |
| 10890152 | 10.1016/s0960-894x(00)00243-2 | MDA-MB-231 | 2 |
Data from ChEMBL 36 via Core Engine