Compound Detail
CHEMBL3687959
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Basic Information
| ChEMBL ID | CHEMBL3687959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDAUAZRWYCHDFB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.05
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 20.0 | nM | 7.7 | Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substr... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 20.0 | nM | 7.7 | Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substr... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 80.0 | nM | 7.1 | Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substr... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 80.0 | nM | 7.1 | Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substr... | - |
Data from ChEMBL 36 via Core Engine