Compound Detail
CHEMBL538853
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CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@@+](C)([O-])[C@H]12.Cl
Basic Information
| ChEMBL ID | CHEMBL538853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJJPDCZCCIFMSV-KUSSGAGVSA-N |
| Parent Compound | CHEMBL1189522 |
| Active Moiety | CHEMBL1189522 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.68
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 200.0 | nM | 6.7 | Ex vivo inhibition of human erythrocyte Acetylcholinesterase. | 12166941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166941 | 10.1021/jm010491d | Acetylcholinesterase | 1 |
| 12166941 | 10.1021/jm010491d | Cholinesterase | 1 |
| 12166941 | 10.1021/jm010491d | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine