Compound Detail
CHEMBL4455693
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 | CHEMBL4455693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YETSBBYQOFXYGV-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.80
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.39 | 4.39 | 40900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human recombinant MAOA using kynuramine as substrate incubated for... | 30975503 |
| Amine oxidase [flavin-containing] B | IC50 | = | 40900.0 | nM | 4.39 | Inhibition of human recombinant MAOB using kynuramine as substrate incubated for... | 30975503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30975503 | 10.1016/j.bmc.2019.03.060 | Amine oxidase [flavin-containing] B | 1 |
| 30975503 | 10.1016/j.bmc.2019.03.060 | Amine oxidase [flavin-containing] A | 1 |
| 30975503 | 10.1016/j.bmc.2019.03.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine