Compound Detail
CHEMBL422471
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL422471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNAWSOWKSSIPGW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.3
MW (Da)
1.61
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Kd 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.24 | 7.24 | 57.9 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 6.57 | 6.57 | 269.1 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.19 | 5.19 | 6462.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 57.87 | nM | 7.24 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| 5-hydroxytryptamine receptor 2B | Kd | = | 269.15 | nM | 6.57 | Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes | 6581313 |
| Protein-tyrosine kinase 2-beta | IC50 | = | 6462.0 | nM | 5.19 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6581313 | 10.1021/jm00367a008 | 5-hydroxytryptamine receptor 2B | 1 |
| 15357994 | 10.1016/j.bmcl.2004.05.076 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine