Compound Detail
CHEMBL289890
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Basic Information
| ChEMBL ID | CHEMBL289890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTKFJJITPRZSPS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1183313 |
| Active Moiety | CHEMBL1183313 |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
170.2
MW (Da)
-0.28
ALogP
4
HBA
1
HBD
50.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas.
Ki 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | Ki | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 48000.0 | nM | 4.32 | Compound was tested for the competitive inhibition of phosphorylation of Eel ace... | 2913310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913310 | 10.1021/jm00122a034 | Acetylcholinesterase | 13 |
| 2913310 | 10.1021/jm00122a034 | Mus musculus | 8 |
| 6492073 | 10.1021/jm00377a010 | ADMET | 4 |
| 2913310 | 10.1021/jm00122a034 | No relevant target | 2 |
| 6492073 | 10.1021/jm00377a010 | No relevant target | 2 |
| 6492073 | 10.1021/jm00377a010 | Acetylcholinesterase | 2 |
| 2913310 | 10.1021/jm00122a034 | Choline O-acetyltransferase | 1 |
| 2913310 | 10.1021/jm00122a034 | Muscarinic acetylcholine receptor | 1 |
| 2913310 | 10.1021/jm00122a034 | Neuronal nicotinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine