Compound Detail
CHEMBL5986901
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Basic Information
| ChEMBL ID | CHEMBL5986901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOVLXQVSHSESHI-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.64 | 4.64 | 23000.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 23000.0 | nM | 4.64 | MAO-A Inhibitory Activity: The MAO-A inhibitory activity evaluation described be... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 23000.0 | nM | 4.64 | MAO-A Inhibitory Assay: The MAO-A inhibitory activity evaluation described below... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 23000.0 | nM | 4.64 | MAO-A Inhibitory Assay: A test compound dissolved in DMSO was added to a reactio... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 23000.0 | nM | 4.64 | Inhibition Assay: A test compound dissolved in DMSO was added to a reaction solu... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 23000.0 | nM | 4.64 | Inhibition Activity Assay: MAO-A: The MAO-A inhibitory activity evaluation descr... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 23000.0 | nM | 4.64 | Inhibitory Activity Assay: The MAO-A inhibitory activity evaluation described be... | - |
Data from ChEMBL 36 via Core Engine