Compound Detail
CHEMBL5575301
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Basic Information
| ChEMBL ID | CHEMBL5575301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYSMZKMKHXTHII-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
1.71
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.59 | 4.59 | 25400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 25400.0 | nM | 4.59 | Inhibition of human recombinant MAO-B using benzylamine as substrate | 38894926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894926 | 10.1021/acsmedchemlett.4c00114 | Mycobacterium tuberculosis | 2 |
| 38894926 | 10.1021/acsmedchemlett.4c00114 | Amine oxidase [flavin-containing] A | 1 |
| 38894926 | 10.1021/acsmedchemlett.4c00114 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine