Compound Detail
CHEMBL72470
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Basic Information
| ChEMBL ID | CHEMBL72470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQCRJWUYEISYJL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
1.99
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 8.99 | 8.99 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 1.03 | nM | 8.99 | Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alph... | 11405659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405659 | 10.1021/jm0100178 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine