Compound Detail
CHEMBL4166555
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Basic Information
| ChEMBL ID | CHEMBL4166555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYBAWUCLDQICKJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.21 | 5.2 | 6240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 6240.0 | nM | 5.21 | Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated... | 29339253 |
| Amine oxidase [flavin-containing] B | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of human MAO-B | 33887441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33887441 | 10.1016/j.bmcl.2021.128051 | Amine oxidase [flavin-containing] B | 2 |
| 29339253 | 10.1016/j.ejmech.2018.01.029 | Amine oxidase [flavin-containing] A | 1 |
| 29339253 | 10.1016/j.ejmech.2018.01.029 | Amine oxidase [flavin-containing] B | 1 |
| 29339253 | 10.1016/j.ejmech.2018.01.029 | Unchecked | 1 |
| 33887441 | 10.1016/j.bmcl.2021.128051 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine