Compound Detail
CHEMBL86663
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
Basic Information
| ChEMBL ID | CHEMBL86663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOIVPCKZDPCJJY-PEZBUJJGSA-N |
5
Targets
8
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
6.29
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.16
Kd 3 meas. best 8.3
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 7.58 | 7.58 | 26.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 7.14 | 7.14 | 72.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | Kd | = | 5.0 | nM | 8.3 | Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta | 8759622 |
| Retinoic acid receptor gamma | Kd | = | 26.0 | nM | 7.58 | Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma | 8759622 |
| Retinoic acid receptor alpha | Kd | = | 72.0 | nM | 7.14 | Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha | 8759622 |
| Retinoic acid receptor gamma | EC50 | = | 700.0 | nM | 6.16 | Effective concentration against RAR-gamma receptor | 8410972 |
| Retinoic acid receptor alpha | EC50 | = | 1000.0 | nM | 6.0 | Effective concentration against RAR-alpha receptor | 8410972 |
| Retinoic acid receptor beta | EC50 | = | 2200.0 | nM | 5.66 | Effective concentration against Retinoic acid receptor beta | 8410972 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 2700.0 | nM | 5.57 | Effective concentration against RXR-alpha receptor | 8410972 |
| HL-60 | IC50 | = | 10000.0 | nM | 5.0 | In vitro cytotoxicity against HL60 cells. | 11128648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor alpha | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor beta | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor gamma | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor RXR-alpha | 2 |
| 11128648 | 10.1016/s0960-894x(00)00547-3 | HL-60 | 2 |
| 8759622 | 10.1021/jm9603532 | Retinoic acid receptor alpha | 1 |
| 8759622 | 10.1021/jm9603532 | Retinoic acid receptor beta | 1 |
| 8759622 | 10.1021/jm9603532 | Retinoic acid receptor gamma | 1 |
| 10479291 | 10.1021/jm9900974 | SW 954 | 1 |
| 10479291 | 10.1021/jm9900974 | SW 962 | 1 |
| 10479291 | 10.1021/jm9900974 | Caov-3 cell line | 1 |
| 10479291 | 10.1021/jm9900974 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine