Compound Detail
CHEMBL161907
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Basic Information
| ChEMBL ID | CHEMBL161907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQGTVISHBDLHBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
1.52
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 9.0 | nM | 8.05 | Inhibitory concentration against Monoamine oxidase B was measured | 12467619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467619 | 10.1016/s0960-894x(02)00838-7 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine