Compound Detail
CHEMBL4204053
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Basic Information
| ChEMBL ID | CHEMBL4204053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJDAKQCRDGXBIO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
4.89
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.28 | 5.28 | 5290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 5290.0 | nM | 5.28 | Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate p... | 28800459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28800459 | 10.1016/j.ejmech.2017.07.077 | Cholinesterase | 1 |
| 28800459 | 10.1016/j.ejmech.2017.07.077 | Acetylcholinesterase | 1 |
| 28800459 | 10.1016/j.ejmech.2017.07.077 | No relevant target | 1 |
| 28800459 | 10.1016/j.ejmech.2017.07.077 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine