Compound Detail
CHEMBL107054
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Basic Information
| ChEMBL ID | CHEMBL107054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCKLKOYFMACAMZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
4.97
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.52
EC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor alpha CHEMBL2055 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2055 | EC50 | 6.95 | 6.95 | 112.0 | 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 | = | 3.0 | nM | 8.52 | Binding affinity fo retinoic acid receptor RAR alpha | 12372520 |
| Retinoic acid receptor alpha | EC50 | = | 112.0 | nM | 6.95 | Effective concentration for retinoic acid receptor RAR alpha transcriptional act... | 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 | 3 |
Data from ChEMBL 36 via Core Engine