Compound Detail
CHEMBL486699
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Basic Information
| ChEMBL ID | CHEMBL486699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJOSEOQZAOZSMV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1187012 |
| Active Moiety | CHEMBL1187012 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.72
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.84 | 5.84 | 1451.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.19 | 5.19 | 6401.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1451.0 | nM | 5.84 | Inhibition of bovine erythrocyte AChE by Ellman's assay | 18517184 |
| Cholinesterase | IC50 | = | 6401.0 | nM | 5.19 | Inhibition of human serum BChE by Ellman's assay | 18517184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18517184 | 10.1021/jm8001313 | Acetylcholinesterase | 3 |
| 18517184 | 10.1021/jm8001313 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine