Compound Detail
CHEMBL522073
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Basic Information
| ChEMBL ID | CHEMBL522073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHHDULBFZKMDGI-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
3.00
ALogP
4
HBA
3
HBD
83.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 5.92 | 5.92 | 1198.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 5.2 | 5.2 | 6320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 1198.0 | nM | 5.92 | Inhibition of human recombinant BChE | 18786825 |
| Acetylcholinesterase | Ki | = | 6320.0 | nM | 5.2 | Inhibition of human recombinant AChE | 18786825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18786825 | 10.1016/j.bmcl.2008.08.076 | Acetylcholinesterase | 1 |
| 18786825 | 10.1016/j.bmcl.2008.08.076 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine