Compound Detail
CHEMBL5430462
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Basic Information
| ChEMBL ID | CHEMBL5430462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWGWQDYPMLAWGB-CZRIQPGMSA-N |
| Parent Compound | CHEMBL5499837 |
| Active Moiety | CHEMBL5499837 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
1.72
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 CHEMBL2109237 | Ki | 9.17 | 9.17 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 | Ki | = | 0.67 | nM | 9.17 | Binding affinity to nACh alpha6beta2 receptor (unknown origin) assessed as inhib... | 37145921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37145921 | 10.1021/acs.jmedchem.2c01965 | No relevant target | 3 |
| 37145921 | 10.1021/acs.jmedchem.2c01965 | Neuronal acetylcholine receptor; alpha6/beta2 | 1 |
Data from ChEMBL 36 via Core Engine