Compound Detail
CHEMBL2237017
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Basic Information
| ChEMBL ID | CHEMBL2237017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYCHTZRFUNDXSN-AWNIVKPZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.66
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.28 | 6.91 | 53.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 53.0 | nM | 7.28 | Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated fo... | 36037788 |
| Amine oxidase [flavin-containing] B | IC50 | = | 290.0 | nM | 6.54 | Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated fo... | 36037788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-9969-1 | Mus musculus | 6 |
| 36037788 | 10.1016/j.ejmech.2022.114655 | Amine oxidase [flavin-containing] B | 2 |
| - | 10.1007/s00044-012-9969-1 | Rattus norvegicus | 1 |
| 31000155 | 10.1016/j.bmcl.2019.04.020 | Trypanosoma cruzi | 1 |
| 31000155 | 10.1016/j.bmcl.2019.04.020 | L929 | 1 |
| 31000155 | 10.1016/j.bmcl.2019.04.020 | Unchecked | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine