Compound Detail
CHEMBL4778686
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Basic Information
| ChEMBL ID | CHEMBL4778686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZOPHESPVBPKND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.01
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5... | 33071056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] A | 1 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] B | 1 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine