Compound Detail
CHEMBL291498
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Basic Information
| ChEMBL ID | CHEMBL291498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLNPMOXPJPCMLY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
2.69
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.57 | 10.57 | 0.0 | 2 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 10.42 | 10.005 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.027 | nM | 10.57 | Inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membra... | 15050621 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.02692 | nM | 10.57 | In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylc... | 12747776 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.038 | nM | 10.42 | Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR | 17994682 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.26 | nM | 9.59 | Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-bet... | 10447950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994682 | 10.1021/jm0704696 | Mus musculus | 6 |
| - | 10.1016/S0960-894X(01)80759-9 | Mus musculus | 4 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 12747776 | 10.1021/jm020859m | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 10447950 | 10.1021/jm990093z | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 10447950 | 10.1021/jm990093z | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 17994682 | 10.1021/jm0704696 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine