Compound Detail
CHEMBL3310699
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Basic Information
| ChEMBL ID | CHEMBL3310699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMDLRMQGZFIKLR-IAOVAPTHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.68
ALogP
6
HBA
0
HBD
74.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.12 | 4.12 | 75350.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.09 | 4.09 | 81680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 75350.0 | nM | 4.12 | Inhibition of AChE (unknown origin) using ACh chloride as substrate preincubated... | 24909082 |
| Unchecked | IC50 | = | 81680.0 | nM | 4.09 | Inhibition of soybean 5-LOX by spectrophotometry | 24909082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24909082 | 10.1016/j.bmcl.2014.05.040 | Acetylcholinesterase | 1 |
| 24909082 | 10.1016/j.bmcl.2014.05.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine