Compound Detail
CHEMBL4444981
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Basic Information
| ChEMBL ID | CHEMBL4444981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBOQXADXCXBIOQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.0
MW (Da)
4.24
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Ki | = | 15.96 | nM | 7.8 | Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding pro... | 30317024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30317024 | 10.1016/j.ejmech.2018.09.073 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 30317024 | 10.1016/j.ejmech.2018.09.073 | Acetylcholine-binding protein | 1 |
Data from ChEMBL 36 via Core Engine