Compound Detail
CHEMBL4589980
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Basic Information
| ChEMBL ID | CHEMBL4589980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMVZYFGKZMDWAT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
503.1
MW (Da)
6.97
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 7.8 | nM | 8.11 | Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrat... | 30851693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30851693 | 10.1016/j.ejmech.2019.02.021 | Acetylcholinesterase | 1 |
| 30851693 | 10.1016/j.ejmech.2019.02.021 | Cholinesterase | 1 |
| 30851693 | 10.1016/j.ejmech.2019.02.021 | Cholinesterases; ACHE & BCHE | 1 |
| 30851693 | 10.1016/j.ejmech.2019.02.021 | Amyloid-beta precursor protein | 1 |
| 30851693 | 10.1016/j.ejmech.2019.02.021 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine