Compound Detail
CHEMBL16648
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Basic Information
| ChEMBL ID | CHEMBL16648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHRFJATVEVOOOT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.71
ALogP
6
HBA
0
HBD
84.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 68.0 | nM | 7.17 | In vitro inhibitory activity on rat brain MAO-B. | 8487255 |
| Amine oxidase [flavin-containing] A | IC50 | = | 32000.0 | nM | 4.5 | In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A) | 8487255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487255 | 10.1021/jm00061a006 | Amine oxidase [flavin-containing] A | 1 |
| 8487255 | 10.1021/jm00061a006 | Amine oxidase [flavin-containing] B | 1 |
| 8487255 | 10.1021/jm00061a006 | Monoamine oxidase | 1 |
Data from ChEMBL 36 via Core Engine