Compound Detail
CHEMBL350748
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Basic Information
| ChEMBL ID | CHEMBL350748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOXQTJBTTWJYHB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.52
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 5.03 | 5.03 | 9440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 9440.0 | nM | 5.03 | Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogena... | 12639569 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 9440.0 | nM | 5.03 | Inhibition of [3H](-)-nicotine binding to rat brain (minus cerebellum) Nicotinic... | 15925512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639569 | 10.1016/s0960-894x(02)01031-4 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 15925512 | 10.1016/j.bmcl.2005.04.072 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine