Compound Detail
CHEMBL3935026
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Basic Information
| ChEMBL ID | CHEMBL3935026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAYOWLNYDMNHJF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.21
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.44 | 6.44 | 365.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 365.0 | nM | 6.44 | MAO-A and MAO-B Assays: MAO assays included luminogenic MAO substrate, reaction ... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 365.0 | nM | 6.44 | MAO-A and MAO-B Assays: MAO assays included luminogenic MAO substrate, reaction ... | - |
Data from ChEMBL 36 via Core Engine