Compound Detail
CHEMBL181840
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Basic Information
| ChEMBL ID | CHEMBL181840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLKBCUWKDBHUFH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181577 |
| Active Moiety | CHEMBL1181577 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.04
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor; alpha1/beta1/delta/gamma CHEMBL1907588 | EC50 | 7.43 | 7.43 | 37.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor; alpha1/beta1/delta/gamma | EC50 | = | 37.0 | nM | 7.43 | Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscu... | 15686946 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 41.0 | nM | 7.39 | Change in membrane potential in K-177 cells expressing acetylcholine central neu... | 15686946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 2 |
Data from ChEMBL 36 via Core Engine