Compound Detail
CHEMBL127966
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Basic Information
| ChEMBL ID | CHEMBL127966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIEZASIQHPITIJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.49
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.74 | 4.74 | 18100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 18100.0 | nM | 4.74 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 18197.01 | nM | 4.74 | Inhibitory activity against Monoamine oxidase B | 9748356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748356 | 10.1021/jm981005y | No relevant target | 3 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 2 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
| 9748356 | 10.1021/jm981005y | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine