Compound Detail
CHEMBL4451312
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Basic Information
| ChEMBL ID | CHEMBL4451312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQJFXGMWJVQQTE-SSDOTTSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
1.29
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of human recombinant MAOA 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] A | 1 |
| 30975503 | 10.1016/j.bmc.2019.03.060 | Amine oxidase [flavin-containing] B | 1 |
| 30975503 | 10.1016/j.bmc.2019.03.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine