Compound Detail
CHEMBL4129303
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Basic Information
| ChEMBL ID | CHEMBL4129303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWJYDYOSAGJKQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.2
MW (Da)
4.53
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 9.87 | 9.87 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 0.134 | nM | 9.87 | Inhibition of human MAO-B using p-tyramine as substrate after 15 mins by amplex ... | 30017112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30017112 | 10.1016/j.bmc.2018.05.042 | Amine oxidase [flavin-containing] B | 2 |
Data from ChEMBL 36 via Core Engine