Compound Detail
CHEMBL162078
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Basic Information
| ChEMBL ID | CHEMBL162078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMZFAEXDUQSAEU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.16
ALogP
4
HBA
1
HBD
49.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 7.12 | 7.1 | 75.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 75.0 | nM | 7.12 | Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 3 receptor | - |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 83.0 | nM | 7.08 | Inhibition of 5-HT (1 ug/mL) induced depolarization in rat vagus nerve (5-hydrox... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80182-7 | Serotonin 3 (5-HT3) receptor | 3 |
Data from ChEMBL 36 via Core Engine