Compound Detail
CHEMBL426674
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Basic Information
| ChEMBL ID | CHEMBL426674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZMKNXICJRCGJX-MJGOQNOKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.00
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.7 | 7.67 | 20.0 | 2 |
| Cholinesterase CHEMBL1914 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 20.0 | nM | 7.7 | Anticholinesterase activity against human erythrocyte AChE | 16570913 |
| Acetylcholinesterase | IC50 | = | 23.0 | nM | 7.64 | Inhibition of AChE (unknown origin) | 35858523 |
| Cholinesterase | IC50 | = | 11400.0 | nM | 4.94 | Anticholinesterase activity against human plasma BChE | 16570913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570913 | 10.1021/jm050578p | Acetylcholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Cholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Cholinesterases; ACHE & BCHE | 1 |
| 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 | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine