Compound Detail
CHEMBL103375
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Basic Information
| ChEMBL ID | CHEMBL103375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NULHWQZPYWXJLF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.22
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldehyde oxidase CHEMBL3257 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldehyde oxidase | Ki | = | 100000.0 | nM | 4.0 | Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidat... | 7365745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7365745 | 10.1021/jm00177a018 | Mus musculus | 2 |
| 7365745 | 10.1021/jm00177a018 | Aldehyde oxidase | 1 |
Data from ChEMBL 36 via Core Engine