Compound Detail
CHEMBL3688221
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Basic Information
| ChEMBL ID | CHEMBL3688221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFMMLGKPCUIDRC-NRFANRHFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.07
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.77 | 7.77 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 17.0 | nM | 7.77 | Binding Assay: The [3H]-methyllycaconitine binding assay is a modification of th... | - |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 17.0 | nM | 7.77 | The [3H]-methyllycaconitine binding assay: Rat brain tissue (hippocampus or whol... | - |
Data from ChEMBL 36 via Core Engine