Compound Detail
CHEMBL102970
PYRIDOXAL 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL102970 |
| Name | PYRIDOXAL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | RADKZDMFGJYCBB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
4
PK Parameters
9
Publications
3
Known Names
Molecular Properties
167.2
MW (Da)
0.40
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 4 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldehyde oxidase CHEMBL3257 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 18.0 | nM | Homo sapiens |
| Cmax | 280.0 | nM | Homo sapiens |
| Tmax | 1.0 | hr | Homo sapiens |
| Tmax | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldehyde oxidase | Ki | = | 30000.0 | nM | 4.52 | Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidat... | 7365745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32916044 | 10.1021/acs.jmedchem.0c01177 | ADMET | 7 |
| 21944860 | 10.1016/j.bmcl.2011.08.123 | Unchecked | 3 |
| 7365745 | 10.1021/jm00177a018 | Mus musculus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 7365745 | 10.1021/jm00177a018 | Aldehyde oxidase | 1 |
| 20041670 | 10.1021/np9005019 | Pyridoxal kinase | 1 |
| 20041670 | 10.1021/np9005019 | No relevant target | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine