Compound Detail
CHEMBL289199
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Basic Information
| ChEMBL ID | CHEMBL289199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMXXDRKTOJAAQS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
163.3
MW (Da)
2.18
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.09
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 5.09 | 5.09 | 8128.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 8128.31 | nM | 5.09 | The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus | 7086824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510099 | 10.1021/jm00064a004 | Amine oxidase [flavin-containing] B | 4 |
| 7086824 | 10.1021/jm00343a013 | 5-hydroxytryptamine receptor 2B | 1 |
| 7252977 | 10.1021/jm00138a007 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine