Compound Detail
CHEMBL95576
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Basic Information
| ChEMBL ID | CHEMBL95576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQTDYCVWQPMOPH-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
3.43
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 9.48 | 9.48 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.331 | nM | 9.48 | In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine recept... | 12061886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061886 | 10.1021/jm010550n | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine