Compound Detail
CHEMBL278342
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COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
Basic Information
| ChEMBL ID | CHEMBL278342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNHNBWWIASUEQH-HVWQDESWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
3.44
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.59 | 7.585 | 25.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 25.8 | nM | 7.59 | Inhibition of human AChE | 26159481 |
| Acetylcholinesterase | IC50 | = | 26.0 | nM | 7.58 | Inhibitory activity against Acetylcholinesterase | 10890154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10890154 | 10.1016/s0960-894x(00)00218-3 | Acetylcholinesterase | 1 |
| 10890154 | 10.1016/s0960-894x(00)00218-3 | Sterol O-acyltransferase 1 | 1 |
| 26159481 | 10.1016/j.bmcl.2015.06.047 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine