Compound Detail
CHEMBL5269769
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COc1ccc(/C=C/C(=N/Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5269769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRWOGUBTQNJHSD-NAYFDBJDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
7.24
ALogP
5
HBA
0
HBD
57.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human MAO-B using benzylamine as substrate | 32920430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine