Compound Detail
CHEMBL133570
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Basic Information
| ChEMBL ID | CHEMBL133570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWJYFOCRQNJGJO-QMMMGPOBSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.7
MW (Da)
1.82
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Neuronal acetylcholine receptor subunit alpha-3 CHEMBL3068 | EC50 | 4.54 | 4.54 | 28900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 1.6 | nM | 8.8 | Compound was evaluated for its ability to displace [3H]-cytisine binding from hi... | 9484491 |
| Neuronal acetylcholine receptor subunit alpha-3 | EC50 | = | 28900.0 | nM | 4.54 | Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cell... | 9484491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484491 | 10.1021/jm9706224 | Neuronal acetylcholine receptor subunit alpha-3 | 2 |
| 9484491 | 10.1021/jm9706224 | Neuronal acetylcholine receptor | 1 |
| 9484491 | 10.1021/jm9706224 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine