Compound Detail
CHEMBL19418
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Basic Information
| ChEMBL ID | CHEMBL19418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSAXUCRWXYNAKT-HRNDJLQDSA-N |
| Parent Compound | CHEMBL353384 |
| Active Moiety | CHEMBL353384 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
4.41
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Choline O-acetyltransferase CHEMBL3945 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory activity was determined | 6737426 |
| Choline O-acetyltransferase | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of choline acetyltransferase (ChAT) activity | 3336013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336013 | 10.1021/jm00396a017 | Choline O-acetyltransferase | 1 |
| 3336013 | 10.1021/jm00396a017 | Acetylcholinesterase | 1 |
| 3336013 | 10.1021/jm00396a017 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80415-1 | Choline O-acetyltransferase | 1 |
| 6737426 | 10.1021/jm00373a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine