Compound Detail
CHEMBL489720
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Basic Information
| ChEMBL ID | CHEMBL489720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWYBNKWJRLRNCS-CXUHLZMHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
5.17
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human recombinant MAO-B assessed as hydrogen peroxide production | 19378991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24169316 | 10.1016/j.bmc.2013.10.004 | Amine oxidase [flavin-containing] B | 2 |
| 19378991 | 10.1021/jm801590u | Amine oxidase [flavin-containing] B | 1 |
| 19378991 | 10.1021/jm801590u | Amine oxidase [flavin-containing] A | 1 |
| 19378991 | 10.1021/jm801590u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine