Compound Detail
CHEMBL84888
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Basic Information
| ChEMBL ID | CHEMBL84888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITVMJNOYTVOMMO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.56
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.27
Ki 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 7.27 | 7.27 | 53.7 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.39 | 5.39 | 4073.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 53.7 | nM | 7.27 | Inhibitory potency against rat stomach fundus 5-hydroxytryptamine 2B receptor | 7629791 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 4073.8 | nM | 5.39 | Binding affinity against human 5-hydroxytryptamine 2C receptor expressed in 293 ... | 7629791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2A | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2C | 1 |
| 7629791 | 10.1021/jm00014a004 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine