Compound Detail
CHEMBL499285
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Basic Information
| ChEMBL ID | CHEMBL499285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGBRWWHJQCFYEI-KKOKHZNYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
-0.68
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Ki 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | Ki | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Electrophorus electricus AChE by Ellman's method | 17574306 |
| Acetylcholinesterase | Ki | = | 510.0 | nM | 6.29 | Inhibition of Electrophorus electricus AChE by Ellman's method | 17574306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17574306 | 10.1016/j.ejmech.2007.03.018 | Acetylcholinesterase | 2 |
| 18996693 | 10.1016/j.bmcl.2008.10.056 | Tyrosinase | 2 |
| 17574306 | 10.1016/j.ejmech.2007.03.018 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine