Compound Detail
CHEMBL88216
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Basic Information
| ChEMBL ID | CHEMBL88216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFMNSSJQXRDLTP-ZFKNLEDPSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.6
MW (Da)
6.22
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
Kd 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 8.22 | 8.22 | 6.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Kd | 7.66 | 7.66 | 22.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Kd | = | 6.0 | nM | 8.22 | Inhibition of [3H]9-cis-RA binding to human Retinoid X receptor RXR alpha | 12482435 |
| Retinoic acid receptor RXR-beta | Kd | = | 15.0 | nM | 7.82 | Inhibition of [3H]9-cis-RA binding to mouse Retinoid X receptor RXR beta | 12482435 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 20.0 | nM | 7.7 | Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RX... | 12482435 |
| Retinoic acid receptor RXR-beta | EC50 | = | 22.0 | nM | 7.66 | Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RX... | 12482435 |
| Retinoic acid receptor RXR-gamma | Kd | = | 22.0 | nM | 7.66 | Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR gamma | 12482435 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 34.0 | nM | 7.47 | Transcriptional activation in CV-1 cells expressing human Retinoid X receptor RX... | 12482435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12482435 | 10.1016/s0960-894x(02)00924-1 | Retinoic acid receptor alpha | 2 |
| 12482435 | 10.1016/s0960-894x(02)00924-1 | Retinoic acid receptor beta | 2 |
| 12482435 | 10.1016/s0960-894x(02)00924-1 | Retinoic acid receptor gamma | 2 |
| 12482435 | 10.1016/s0960-894x(02)00924-1 | Retinoic acid receptor RXR-alpha | 2 |
| 12482435 | 10.1016/s0960-894x(02)00924-1 | Retinoic acid receptor RXR-beta | 2 |
| 12482435 | 10.1016/s0960-894x(02)00924-1 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine