Compound Detail
CHEMBL5647365
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Basic Information
| ChEMBL ID | CHEMBL5647365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHFPPYNQEIFAFC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
4.38
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.4 | 6.4 | 402.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 173.0 | nM | 6.76 | Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated... | 38746894 |
| Amine oxidase [flavin-containing] A | IC50 | = | 402.0 | nM | 6.4 | Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated... | 38746894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38746894 | 10.1021/acsmedchemlett.3c00573 | Amine oxidase [flavin-containing] A | 1 |
| 38746894 | 10.1021/acsmedchemlett.3c00573 | Amine oxidase [flavin-containing] B | 1 |
| 38746894 | 10.1021/acsmedchemlett.3c00573 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine