Compound Detail
CHEMBL5084771
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Basic Information
| ChEMBL ID | CHEMBL5084771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPSQAPCJHLZFPT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.92
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3681 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated protein tau | IC50 | = | 3.1 | nM | 8.51 | Displacement of [3H]PI-2620 from Tau in human brain homogenate incubated for 60 ... | 34839158 |
| Amine oxidase [flavin-containing] A | IC50 | = | 51.0 | nM | 7.29 | Displacement of [18F]-FEH from MAO-A in mouse brain homogenate incubated for 60 ... | 34839158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34839158 | 10.1016/j.bmc.2021.116528 | Microtubule-associated protein tau | 1 |
| 34839158 | 10.1016/j.bmc.2021.116528 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine