Compound Detail
CHEMBL387639
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Basic Information
| ChEMBL ID | CHEMBL387639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRFBVQCSZMKBFY-ARSQLPCUSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
5.65
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Ki 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.38 | 8.38 | 4.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 5.555 | 119.0 | 2 |
| Retinoic acid receptor alpha CHEMBL2055 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.12 | nM | 8.38 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
| Unchecked | IC50 | = | 119.0 | nM | 6.92 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
| Unchecked | IC50 | = | 65000.0 | nM | 4.19 | Displacement of [11,12-3H]ARTA from RARgamma | 15615521 |
| Retinoic acid receptor alpha | IC50 | = | 100000.0 | nM | 4.0 | Displacement of [11,12-3H]ARTA from RARalpha | 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