Compound Detail
CHEMBL238230
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Basic Information
| ChEMBL ID | CHEMBL238230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDGYHTJSFXYWDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
7.19
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 7.95 | 7.95 | 11.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1.83 | nM | 8.74 | Inhibition of human serum recombinant AChE by Ellman's method | 18047264 |
| Cholinesterase | IC50 | = | 11.3 | nM | 7.95 | Inhibition of human serum recombinant BChE by Ellman's method | 18047264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18047264 | 10.1021/jm701225u | Acetylcholinesterase | 1 |
| 18047264 | 10.1021/jm701225u | Cholinesterase | 1 |
| 18047264 | 10.1021/jm701225u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine