Compound Detail
CHEMBL3676962
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 | CHEMBL3676962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXIXSVLZTCKWCM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.0
MW (Da)
2.10
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-4 CHEMBL1882 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Neuronal acetylcholine receptor subunit alpha-4 CHEMBL307 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-4 | Ki | = | 4.9 | nM | 8.31 | Radioligand Binding: The binding of [3H]MLA was measured using a modification of... | - |
| Neuronal acetylcholine receptor subunit alpha-4 | Ki | = | 20.0 | nM | 7.7 | Radioligand Binding: The binding of [3H]MLA was measured using a modification of... | - |
Data from ChEMBL 36 via Core Engine