Compound Detail
CHEMBL53449
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Basic Information
| ChEMBL ID | CHEMBL53449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRJVMRQEDQFTGR-JAUKNPJPSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
5.05
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.33 | 7.33 | 46.7 | 1 |
| Cricetinae gen. sp. CHEMBL612361 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 46.67 | nM | 7.33 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
| Cricetinae gen. sp. | IC50 | = | 1620.0 | nM | 5.79 | The compound was tested for the inhibition of all-trans retinoic acid (ATRA) cat... | 10987414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615521 | 10.1021/jm0401457 | Unchecked | 3 |
| 15615521 | 10.1021/jm0401457 | Cytochrome P450 26A1 | 3 |
| 10987414 | 10.1016/s0960-894x(00)00391-7 | Cricetinae gen. sp. | 1 |
| 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