Compound Detail
CHEMBL474404
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Basic Information
| ChEMBL ID | CHEMBL474404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKUGLBIVUHFKTN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.10
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 8.62 | 7.87 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | IC50 | = | 2.4 | nM | 8.62 | Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhi... | 19307114 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 76.0 | nM | 7.12 | Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhi... | 19307114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19307114 | 10.1016/j.bmcl.2009.02.126 | 5-hydroxytryptamine receptor 2B | 2 |
| 19307114 | 10.1016/j.bmcl.2009.02.126 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine