Compound Detail
CHEMBL388283
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Basic Information
| ChEMBL ID | CHEMBL388283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZKOGSKZEKBEDG-DZBDEXCTSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
5.45
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.29 | 5.695 | 51.7 | 2 |
| Retinoic acid receptor alpha CHEMBL2055 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 51.67 | nM | 7.29 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
| Retinoic acid receptor alpha | IC50 | = | 20000.0 | nM | 4.7 | Displacement of [11,12-3H]ARTA from RARalpha | 15615521 |
| Unchecked | IC50 | = | 80000.0 | nM | 4.1 | Displacement of [11,12-3H]ARTA from RARgamma | 15615521 |
| Retinoic acid receptor beta | IC50 | = | 90000.0 | nM | 4.05 | Displacement of [11,12-3H]ARTA from RARbeta | 15615521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615521 | 10.1021/jm0401457 | Unchecked | 3 |
| 15615521 | 10.1021/jm0401457 | Cytochrome P450 26A1 | 3 |
| 15615521 | 10.1021/jm0401457 | Retinoic acid receptor alpha | 1 |
| 15615521 | 10.1021/jm0401457 | Retinoic acid receptor beta | 1 |
Data from ChEMBL 36 via Core Engine