Compound Detail
CHEMBL5083918
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Basic Information
| ChEMBL ID | CHEMBL5083918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDYVEMOTVIKKNU-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.80
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoid isomerohydrolase CHEMBL4523306 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoid isomerohydrolase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of RPE65 in bovine retinal pigment epithelium microsomes assessed as ... | 34081480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34081480 | 10.1021/acs.jmedchem.1c00279 | Retinoid isomerohydrolase | 1 |
| 34081480 | 10.1021/acs.jmedchem.1c00279 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine