Compound Detail
CHEMBL4781327
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Basic Information
| ChEMBL ID | CHEMBL4781327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJIGGYYSZBWCGC-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
3.03
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.76
EC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoid isomerohydrolase CHEMBL4523306 | EC50 | 6.76 | 6.76 | 172.4 | 1 |
| Retinoid isomerohydrolase CHEMBL4523306 | IC50 | 6.76 | 6.73 | 172.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoid isomerohydrolase | EC50 | = | 172.4 | nM | 6.76 | Inhibition of RPE65 in bovine RPE microsomes assessed as reduction in 11-cis-ret... | 32717613 |
| Retinoid isomerohydrolase | IC50 | = | 172.0 | nM | 6.76 | Inhibition of RPE65 in bovine retinal pigment epithelium microsomes assessed as ... | 34081480 |
| Retinoid isomerohydrolase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of RPE65 in bovine microsomes assessed as reduction on 11-cis-retinol... | 37279401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37279401 | 10.1021/acs.jmedchem.3c00461 | ADMET | 21 |
| 37279401 | 10.1021/acs.jmedchem.3c00461 | Retinoid isomerohydrolase | 7 |
| 32717613 | 10.1016/j.bmcl.2020.127421 | Retinoid isomerohydrolase | 2 |
| 34081480 | 10.1021/acs.jmedchem.1c00279 | ADMET | 2 |
| 34081480 | 10.1021/acs.jmedchem.1c00279 | Retinoid isomerohydrolase | 1 |
Data from ChEMBL 36 via Core Engine