Compound Detail
CHEMBL3780004
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Basic Information
| ChEMBL ID | CHEMBL3780004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNYIFRIYMYLWAP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.6
MW (Da)
6.35
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 50.12 | nM | 7.3 | Agonist activity at histidine-tagged ligand binding domain of human RXRalpha exp... | 26820900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26820900 | 10.1021/acs.jmedchem.5b01702 | Retinoic acid receptor RXR-alpha | 2 |
| 26820900 | 10.1021/acs.jmedchem.5b01702 | Retinoic acid receptor | 1 |
| 26820900 | 10.1021/acs.jmedchem.5b01702 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine