Compound Detail
CHEMBL4642769
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Basic Information
| ChEMBL ID | CHEMBL4642769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPWKRIYJYYTEOL-PVNAWFOBSA-N |
| Parent Compound | CHEMBL4650884 |
| Active Moiety | CHEMBL4650884 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
204.3
MW (Da)
1.60
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cel... | 32026697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32026697 | 10.1021/acs.jmedchem.9b00790 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine