Compound Detail
CHEMBL461515
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Basic Information
| ChEMBL ID | CHEMBL461515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLZAGZCCJJBKNZ-UJPOAAIJSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
-1.32
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Kd 1 meas.
Ki 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of Electrophorus electricus AChE by Ellman's method | 17574306 |
| Acetylcholinesterase | Ki | = | 730.0 | nM | 6.14 | 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 |
| 18996693 | 10.1016/j.bmcl.2008.10.056 | Mus musculus | 2 |
| 31785819 | 10.1016/j.ejmech.2019.111905 | Farnesyl pyrophosphate synthase | 2 |
| 17574306 | 10.1016/j.ejmech.2007.03.018 | Cholinesterase | 1 |
| 19564107 | 10.1016/j.bmcl.2009.06.018 | Tyrosinase | 1 |
| 19800229 | 10.1016/j.bmcl.2009.09.018 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine