Compound Detail
CHEMBL3235501
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Basic Information
| ChEMBL ID | CHEMBL3235501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUCVBWUFAVREQB-HGTLKWEASA-N |
| Parent Compound | CHEMBL3546274 |
| Active Moiety | CHEMBL3546274 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.2
MW (Da)
3.35
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 9.59 | 9.59 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 0.26 | nM | 9.59 | Displacement of [125I]-alpha-BTX from rat alpha7-nAChR after 2 hrs by scintillat... | 24050653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24050653 | 10.1021/jm401184f | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 24050653 | 10.1021/jm401184f | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine