Compound Detail
CHEMBL281410
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Basic Information
| ChEMBL ID | CHEMBL281410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWIBAQWOZHPVCE-SKDRFNHKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
2.02
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL1907587 | Ki | 4.91 | 4.91 | 12200.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.91 | 4.91 | 12200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta2 | Ki | = | 12200.0 | nM | 4.91 | Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-in... | 11354387 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 12200.0 | nM | 4.91 | Inhibition of [3H]nicotine binding to alpha4-beta2 nicotinic acetylcholine recep... | 16005216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354387 | 10.1016/s0960-894x(01)00193-7 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 11354387 | 10.1016/s0960-894x(01)00193-7 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16005216 | 10.1016/j.bmcl.2005.05.118 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16005216 | 10.1016/j.bmcl.2005.05.118 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine