Compound Detail
CHEMBL4648532
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Basic Information
| ChEMBL ID | CHEMBL4648532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWJRMBDHBSILGQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.78
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of recombinant human MAOB expressed in baculovirus infected in BTI ce... | 32089390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32089390 | 10.1016/j.bmc.2020.115374 | Amyloid-beta precursor protein | 3 |
| 32089390 | 10.1016/j.bmc.2020.115374 | Amine oxidase [flavin-containing] B | 2 |
| 32089390 | 10.1016/j.bmc.2020.115374 | No relevant target | 1 |
| 32089390 | 10.1016/j.bmc.2020.115374 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine