Compound Detail
CHEMBL1164456
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Basic Information
| ChEMBL ID | CHEMBL1164456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQGGRFSRGCVVKQ-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1199716 |
| Active Moiety | CHEMBL1199716 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
0.00
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 1800.0 | nM | 5.75 | Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nAChR in rat cortical mem... | 20478710 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 9500.0 | nM | 5.02 | Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in rat cortical membr... | 20478710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20478710 | 10.1016/j.bmc.2010.04.065 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 20478710 | 10.1016/j.bmc.2010.04.065 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine