Compound Detail
CHEMBL598805
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Basic Information
| ChEMBL ID | CHEMBL598805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXJUZHRNCSMYNX-PMACEKPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.90
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 5.52 | 5.52 | 3029.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 3029.0 | nM | 5.52 | Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 ce... | 20146481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20146481 | 10.1021/jm901827x | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine