Compound Detail
CHEMBL5404069
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5404069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSXPTYRGJDGQJN-KGQAHRTDSA-N |
| Parent Compound | CHEMBL5498958 |
| Active Moiety | CHEMBL5498958 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.8
MW (Da)
5.28
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 CHEMBL2109237 | Ki | 10.11 | 10.11 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha6/beta2 | Ki | = | 0.077 | nM | 10.11 | 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 | 1 |
| 37145921 | 10.1021/acs.jmedchem.2c01965 | Neuronal acetylcholine receptor; alpha6/beta2 | 1 |
Data from ChEMBL 36 via Core Engine