Compound Detail
CHEMBL4469118
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Basic Information
| ChEMBL ID | CHEMBL4469118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNISJANLBXRBIV-BYNJWEBRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
6.02
ALogP
7
HBA
2
HBD
93.5
PSA (Ų)
0.14
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.5467 | 110.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Calf ALR2 in presence of NADPH by UV spectrophotometric analysis | 29751237 |
| Unchecked | IC50 | = | 459.0 | nM | 6.34 | Inhibition of calf ALR2 using DL-glyceraldehyde as substrate preincubated for 5 ... | 31255497 |
| Unchecked | IC50 | = | 459.0 | nM | 6.34 | Inhibition of bovine kidney ALR1 in presence of NADPH by UV spectrophotometric a... | 29751237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29751237 | 10.1016/j.ejmech.2018.04.061 | Unchecked | 2 |
| 31255497 | 10.1016/j.bmc.2019.06.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine