Compound Detail
CHEMBL40190
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Basic Information
| ChEMBL ID | CHEMBL40190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIIRNJNGOKYCIP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
225.7
MW (Da)
1.27
ALogP
1
HBA
4
HBD
100.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 6.65 | 6.65 | 225.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 225.0 | nM | 6.65 | Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytrypt... | 8831767 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 225.0 | nM | 6.65 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831767 | 10.1021/jm9603936 | Serotonin 3 (5-HT3) receptor | 1 |
| 11412989 | 10.1016/s0960-894x(01)00291-8 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine