Compound Detail
CHEMBL379643
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Basic Information
| ChEMBL ID | CHEMBL379643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVABDORBZQHXOD-ZJUUUORDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
1.13
ALogP
3
HBA
1
HBD
36.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2095196 | Ki | 7.55 | 7.55 | 28.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | Ki | = | 28.18 | nM | 7.55 | Binding affinity to I2-IBS, imidazoline binding site of MAO | 16942031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942031 | 10.1021/jm060605r | Monoamine oxidase | 3 |
Data from ChEMBL 36 via Core Engine