Compound Detail
CHEMBL3356772
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Basic Information
| ChEMBL ID | CHEMBL3356772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLYMGUNAQYLKLV-CBQOVEMMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
3.52
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 5.15 | 5.15 | 7140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 7140.0 | nM | 5.15 | Non-competitive inhibition of rat alpha3beta4 nAChR expressed in KX cells assess... | 25464883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25464883 | 10.1016/j.bmc.2014.10.036 | Rattus norvegicus | 4 |
| 25464883 | 10.1016/j.bmc.2014.10.036 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine