Compound Detail
CHEMBL106527
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Basic Information
| ChEMBL ID | CHEMBL106527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKJHVPWANEVRO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.26
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.75
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.15
EC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 8.15 | 8.15 | 7.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | Kd | 5.83 | 5.83 | 1470.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | Kd | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor alpha | Kd | = | 7.0 | nM | 8.15 | Binding affinity fo retinoic acid receptor RAR alpha | 12372520 |
| Retinoic acid receptor alpha | EC50 | = | 94.0 | nM | 7.03 | Effective concentration for retinoic acid receptor RAR alpha transcriptional act... | 12372520 |
| Retinoic acid receptor beta | Kd | = | 1470.0 | nM | 5.83 | Binding affinity for retinoic acid receptor RAR beta | 12372520 |
| Retinoic acid receptor gamma | Kd | = | 5600.0 | nM | 5.25 | Binding affinity for retinoic acid receptor RAR gamma | 12372520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372520 | 10.1016/s0960-894x(02)00647-9 | Retinoic acid receptor alpha | 3 |
| 12372520 | 10.1016/s0960-894x(02)00647-9 | Retinoic acid receptor beta | 3 |
| 12372520 | 10.1016/s0960-894x(02)00647-9 | Retinoic acid receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine