Compound Detail
CHEMBL3425885
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Basic Information
| ChEMBL ID | CHEMBL3425885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNUAJFVISQUCFX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3559272 |
| Active Moiety | CHEMBL3559272 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
3.45
ALogP
3
HBA
1
HBD
67.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.33 | 4.33 | 46300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 46300.0 | nM | 4.33 | Binding affinity to 5'-end biotinylated ADAM10 A10-RNA QGRS (unknown origin) by ... | 25822852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25822852 | 10.1021/acs.jmedchem.5b00139 | Unchecked | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | No relevant target | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | Acetylcholinesterase | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | Cholinesterase | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine