Compound Detail
CHEMBL2113236
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Basic Information
| ChEMBL ID | CHEMBL2113236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYQNRDNWSFGCNC-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
1.84
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 37.0 | nM | 7.43 | Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane | 16821797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821797 | 10.1021/jm060249c | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 16821797 | 10.1021/jm060249c | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine