Compound Detail
CHEMBL138072
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Basic Information
| ChEMBL ID | CHEMBL138072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNIMLCHZPSYBJD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
2.51
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.42 | 5.42 | 3767.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.42 | 5.42 | 3770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3770.0 | nM | 5.42 | Inhibitory activity against Acetylcholinesterase | 8978837 |
| Acetylcholinesterase | IC50 | = | 3767.04 | nM | 5.42 | Inhibition acetylcholinesterase (AChE) enzyme. | 9435905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978837 | 10.1021/jm950771r | Acetylcholinesterase | 1 |
| 9435905 | 10.1021/jm970488n | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine