Compound Detail
CHEMBL5220690
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Basic Information
| ChEMBL ID | CHEMBL5220690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMOOSQKVZLZWQB-FQEVSTJZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
3.46
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.36 | 5.36 | 4330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 4330.0 | nM | 5.36 | Inhibition of equine BChE | 35858523 |
| Cholinesterase | IC50 | = | 4330.0 | nM | 5.36 | Inhibition of equine BuChE | 38852337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35858523 | 10.1016/j.ejmech.2022.114606 | Acetylcholinesterase | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Cholinesterase | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Unchecked | 1 |
| 38852337 | 10.1016/j.ejmech.2024.116569 | Cholinesterase | 1 |
| 38852337 | 10.1016/j.ejmech.2024.116569 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine