Compound Detail
CHEMBL3786378
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3786378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APPJSPLSLCAGEG-ODLFYWEKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.65 | 6.65 | 226.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 226.0 | nM | 6.65 | Inhibition of human recombinant MAO-B using kynuramine as substrate after 30 min... | 27079124 |
| Amine oxidase [flavin-containing] B | IC50 | = | 226.0 | nM | 6.65 | Inhibition of MAO-B (unknown origin) | 33271454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27079124 | 10.1016/j.bmc.2016.04.012 | No relevant target | 6 |
| 27079124 | 10.1016/j.bmc.2016.04.012 | Amyloid-beta precursor protein | 2 |
| 27079124 | 10.1016/j.bmc.2016.04.012 | Amine oxidase [flavin-containing] A | 1 |
| 27079124 | 10.1016/j.bmc.2016.04.012 | Amine oxidase [flavin-containing] B | 1 |
| 27079124 | 10.1016/j.bmc.2016.04.012 | Unchecked | 1 |
| 27079124 | 10.1016/j.bmc.2016.04.012 | ADMET | 1 |
| 33271454 | 10.1016/j.bmc.2020.115895 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine