Compound Detail
CHEMBL194100
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Basic Information
| ChEMBL ID | CHEMBL194100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEUSUHAAYXEGAO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.24
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 5.69 | 5.69 | 2024.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3.4 | nM | 8.47 | Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expresse... | 16165358 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 2024.0 | nM | 5.69 | Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor usi... | 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