Compound Detail
CHEMBL397101
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Basic Information
| ChEMBL ID | CHEMBL397101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTGYHXNHWLRYHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
5.06
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 23000.0 | nM | 4.64 | Inhibition of human plasma BuChE activity | 17681768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17681768 | 10.1016/j.bmc.2007.06.060 | Cholinesterase | 1 |
| 17681768 | 10.1016/j.bmc.2007.06.060 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine