Compound Detail
CHEMBL3963157
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Basic Information
| ChEMBL ID | CHEMBL3963157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVMMXDPNJVFASA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.59
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.36 | nM | 9.44 | Inhibition Assay: The Ki values for the inhibition of [3H]epibatidine binding at... | - |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 870.0 | nM | 6.06 | Inhibition Assay: Compounds (10 mM) were also evaluated for inhibition of bindin... | - |
Data from ChEMBL 36 via Core Engine