Compound Detail
CHEMBL440387
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Basic Information
| ChEMBL ID | CHEMBL440387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBQAISAIFZUCHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.9
MW (Da)
3.89
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 6.28 | 6.28 | 524.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 524.5 | nM | 6.28 | Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expresse... | 16165358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16165358 | 10.1016/j.bmcl.2005.07.070 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16165358 | 10.1016/j.bmcl.2005.07.070 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine