Compound Detail
CHEMBL1221641
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Basic Information
| ChEMBL ID | CHEMBL1221641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXCTZCYFGJAJCU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
5.29
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.81
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 8.42 | 8.3267 | 3.8 | 3 |
| Retinoid X receptor CHEMBL2363070 | EC50 | 7.86 | 7.86 | 13.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 3.8 | nM | 8.42 | Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells af... | 23391145 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 5.28 | nM | 8.28 | Agonist activity at RXRalpha by luciferase reporter gene assay | 20656484 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 5.3 | nM | 8.28 | Agonist activity at RXRalpha transfected in human COS1 cells after 18 hrs by luc... | 24900241 |
| Retinoid X receptor | EC50 | = | 13.8 | nM | 7.86 | Agonist activity at human RXR binding domain and activation domain expressed in ... | 27592633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900488 | 10.1021/ml300055n | Mus musculus | 18 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Retinoid X receptor | 5 |
| 23391145 | 10.1021/jm400033f | Retinoic acid receptor RXR-alpha | 5 |
| 24900241 | 10.1021/ml100184k | Retinoic acid receptor RXR-alpha | 4 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Retinoic acid receptor RXR-alpha | 3 |
| 23391145 | 10.1021/jm400033f | Mus musculus | 3 |
| 36923911 | 10.1021/acsmedchemlett.2c00509 | Retinoic acid receptor RXR-alpha | 3 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Unchecked | 2 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | HuT78 | 2 |
| 27592633 | 10.1021/acs.jmedchem.6b00812 | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | 2 |
| 24900488 | 10.1021/ml300055n | Peroxisome proliferator-activated receptor gamma | 1 |
| 24900488 | 10.1021/ml300055n | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | 1 |
| 24900488 | 10.1021/ml300055n | Oxysterols receptor LXR-alpha | 1 |
| 24900488 | 10.1021/ml300055n | RXR alpha/PPAR gamma | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Retinoic acid receptor alpha | 1 |
| 24900241 | 10.1021/ml100184k | Oxysterols receptor LXR-alpha | 1 |
| 24900241 | 10.1021/ml100184k | Peroxisome proliferator-activated receptor gamma | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Oxysterols receptor LXR-alpha | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | RXR alpha/PPAR gamma | 1 |
| 20656484 | 10.1016/j.bmcl.2010.07.012 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine