Compound Detail
CHEMBL4640668
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Basic Information
| ChEMBL ID | CHEMBL4640668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BACDZNLMIXNCOG-JTCWOHKRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
6.07
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 31740200 |
| Amyloid-beta precursor protein | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of human amyloid beta (1 to 40) aggregation after 24 hrs by ThT fluor... | 31791817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31740200 | 10.1016/j.bmc.2019.115156 | Amine oxidase [flavin-containing] B | 4 |
| 31740200 | 10.1016/j.bmc.2019.115156 | SH-SY5Y | 3 |
| 31791817 | 10.1016/j.bmcl.2019.126808 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine