Compound Detail
CHEMBL494278
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Basic Information
| ChEMBL ID | CHEMBL494278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZVDFKIEMGFAIS-RGEXLXHISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
2.18
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.82 | 7.48 | 1.5 | 2 |
| Neuronal acetylcholine receptor subunit alpha-4 CHEMBL5569 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Displacement of [3H]IMI from nAChR in Drosophila brain | 18570364 |
| Unchecked | IC50 | = | 720.0 | nM | 6.14 | Displacement of [3H]IMI from peach-potato aphid alpha2/rat beta2 nAChR hybrid re... | 18570364 |
| Neuronal acetylcholine receptor subunit alpha-4 | IC50 | = | 900.0 | nM | 6.05 | Displacement of [3H]nicotine from chick alpha4beta2 nAChR | 18570364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18570364 | 10.1021/jm800191a | Unchecked | 3 |
| 18570364 | 10.1021/jm800191a | Mus musculus | 2 |
| 18570364 | 10.1021/jm800191a | Musca domestica | 2 |
| 18570364 | 10.1021/jm800191a | Neuronal acetylcholine receptor subunit alpha-4 | 1 |
Data from ChEMBL 36 via Core Engine