Compound Detail
CHEMBL310047
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
CC(/C=C/[C@]12CCC[C@@]1(c1ccc3c(c1)C(C)(C)CCC3(C)C)C2)=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL310047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYLRCUSVWGFVQB-FCYKCFNLSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.6
MW (Da)
6.43
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.52
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.68 | 6.68 | 209.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta | EC50 | = | 3.0 | nM | 8.52 | Effective potency in transcriptional activation assay in CV-1 cells expressing R... | - |
| Retinoic acid receptor RXR-gamma | EC50 | = | 3.0 | nM | 8.52 | Effective potency in transcriptional activation assay in CV-1 cells expressing R... | - |
| Retinoic acid receptor RXR-alpha | Ki | = | 3.0 | nM | 8.52 | Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR alpha | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 4.0 | nM | 8.4 | Effective potency in transcriptional activation assay in CV-1 cells expressing R... | - |
| Retinoic acid receptor RXR-gamma | Ki | = | 5.0 | nM | 8.3 | Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR gamma | - |
| Retinoic acid receptor RXR-beta | Ki | = | 10.0 | nM | 8.0 | Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR beta | - |
| Retinoic acid receptor gamma | EC50 | = | 209.0 | nM | 6.68 | Effective potency in transcriptional activation assay in CV-1 cells expressing r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00437-X | Retinoic acid receptor alpha | 3 |
| - | 10.1016/S0960-894X(97)00437-X | Retinoic acid receptor beta | 3 |
| - | 10.1016/S0960-894X(97)00437-X | Retinoic acid receptor gamma | 3 |
| - | 10.1016/S0960-894X(97)00437-X | Retinoic acid receptor RXR-alpha | 3 |
| - | 10.1016/S0960-894X(97)00437-X | Retinoic acid receptor RXR-beta | 3 |
| - | 10.1016/S0960-894X(97)00437-X | Retinoic acid receptor RXR-gamma | 3 |
Data from ChEMBL 36 via Core Engine