Compound Detail
CHEMBL58177
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Basic Information
| ChEMBL ID | CHEMBL58177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUDUXRHPVDVWHU-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.32
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2095205 | IC50 | 7.38 | 7.38 | 41.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | IC50 | = | 41.7 | nM | 7.38 | In vitro inhibitory activity against Monoamine oxidase in baboon brain was deter... | 2113950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2113950 | 10.1021/jm00169a034 | Monoamine oxidase | 2 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine