Compound Detail
CHEMBL138144
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Basic Information
| ChEMBL ID | CHEMBL138144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNEBSMWNWRWALZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
3.70
ALogP
2
HBA
0
HBD
14.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Kd 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 7.68 | 7.68 | 20.9 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.11 | 6.11 | 775.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 20.89 | nM | 7.68 | Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes | 6581313 |
| Rattus norvegicus | IC50 | = | 775.0 | nM | 6.11 | Compound was tested for inhibition of specific [3H]5-HT binding in rat cortex. | 6581313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6581313 | 10.1021/jm00367a008 | Rattus norvegicus | 19 |
| 6581313 | 10.1021/jm00367a008 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine