Compound Detail
CHEMBL308883
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Basic Information
| ChEMBL ID | CHEMBL308883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMDVFKHLXNHBGR-LFZNACJFSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.6
MW (Da)
6.21
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.15
Kd 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Kd | 7.38 | 7.38 | 42.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | Kd | 7.25 | 7.25 | 56.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 7.15 | 7.15 | 71.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma | Kd | = | 42.0 | nM | 7.38 | Compound was tested for binding affinity against retinoid X receptor using 5 nM ... | - |
| Retinoic acid receptor RXR-beta | Kd | = | 56.0 | nM | 7.25 | Compound was tested for binding affinity against retinoid X receptor using 5 nM ... | - |
| Retinoic acid receptor RXR-gamma | EC50 | = | 71.0 | nM | 7.15 | Compound was tested for functional activity in CV-1 cells transfected with an ex... | - |
| Retinoic acid receptor RXR-alpha | Kd | = | 71.0 | nM | 7.15 | Compound was tested for binding affinity against retinoid X receptor using 5 nM ... | - |
| Retinoic acid receptor RXR-beta | EC50 | = | 100.0 | nM | 7.0 | Compound was tested for functional activity in CV-1 cells transfected with an ex... | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 130.0 | nM | 6.89 | Compound was tested for functional activity in CV-1 cells transfected with an ex... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00588-K | Retinoic acid receptor alpha | 2 |
| - | 10.1016/0960-894X(95)00588-K | Retinoic acid receptor beta | 2 |
| - | 10.1016/0960-894X(95)00588-K | Retinoic acid receptor gamma | 2 |
| - | 10.1016/0960-894X(95)00588-K | Retinoic acid receptor RXR-alpha | 2 |
| - | 10.1016/0960-894X(95)00588-K | Retinoic acid receptor RXR-beta | 2 |
| - | 10.1016/0960-894X(95)00588-K | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine