Compound Detail
CHEMBL1950156
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CN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL1950156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REZGXCQOMYFEFV-QBGYIRFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
2.40
ALogP
5
HBA
0
HBD
30.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 10.04 | 10.04 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 0.092 | nM | 10.04 | Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain | 22281189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine