Compound Detail
CHEMBL3676980
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Basic Information
| ChEMBL ID | CHEMBL3676980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCALFEPRDXKIOG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.1
MW (Da)
2.49
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-4 CHEMBL1882 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Neuronal acetylcholine receptor subunit alpha-4 CHEMBL307 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-4 | Ki | = | 1.6 | nM | 8.8 | Radioligand Binding: The binding of [3H]MLA was measured using a modification of... | - |
| Neuronal acetylcholine receptor subunit alpha-4 | Ki | = | 4.0 | nM | 8.4 | Radioligand Binding: The binding of [3H]MLA was measured using a modification of... | - |
Data from ChEMBL 36 via Core Engine