Compound Detail
CHEMBL126350
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Basic Information
| ChEMBL ID | CHEMBL126350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDHKWAZLVNUABG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
0.83
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.09 | 7.09 | 81.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 81.0 | nM | 7.09 | Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 ... | 9513601 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 81.28 | nM | 7.09 | Binding affinity at 5-hydroxytryptamine 3 receptor in rat cortical membrane by [... | 9513601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9513601 | 10.1021/jm970645i | Serotonin 3 (5-HT3) receptor | 2 |
| 11689081 | 10.1021/jm010901y | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine