Compound Detail
CHEMBL430380
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Basic Information
| ChEMBL ID | CHEMBL430380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTBFEBHZTXDLNN-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.7
MW (Da)
1.29
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.37
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.0 | 10.0 | 0.1 | 2 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 5.37 | 5.37 | 4265.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]cytisine from alpha-4-beta-2 in rat cerebral cortical membra... | 17585748 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]cytisine from alpha-4-beta-2 in rat cerebral cortical membra... | 17585748 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 4265.8 | nM | 5.37 | Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by ... | 17585748 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 4300.0 | nM | 5.37 | Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by ... | 17585748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17585748 | 10.1021/jm070018l | Neuronal acetylcholine receptor; alpha4/beta2 | 4 |
Data from ChEMBL 36 via Core Engine