Compound Detail
CHEMBL1163517
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1163517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPYNLCHNOVJVDZ-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1178352 |
| Active Moiety | CHEMBL1178352 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
0.49
ALogP
4
HBA
1
HBD
42.9
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 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.28 | 4.28 | 53000.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 53000.0 | nM | 4.28 | Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nAChR in rat cortical mem... | 20478710 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 68000.0 | nM | 4.17 | 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