Compound Detail
CHEMBL12585
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Basic Information
| ChEMBL ID | CHEMBL12585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXJOGQVGIGUXDY-AATRIKPKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
5.90
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 0.4 | nM | 9.4 | Transcriptional activation for RAR beta receptor | - |
| Retinoic acid receptor gamma | EC50 | = | 0.4 | nM | 9.4 | Transcriptional activation for RAR gamma receptor | - |
| Retinoic acid receptor alpha | EC50 | = | 11.0 | nM | 7.96 | Transcriptional activation for RAR alpha receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2709376 | 10.1021/jm00125a027 | HL-60 | 2 |
| 15974583 | 10.1021/jm049080y | HL-60 | 2 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor alpha | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor beta | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor gamma | 1 |
| - | 10.1016/S0960-894X(01)80511-4 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine