Compound Detail
CHEMBL39918
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Basic Information
| ChEMBL ID | CHEMBL39918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDYWLSCGOQSWTQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.42
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 220.0 | nM | 6.66 | Inhibitory constant against fetal bovine serum (FBS) acetylcholinesterase | 12031333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031333 | 10.1016/s0960-894x(02)00204-4 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine