Compound Detail
CHEMBL172269
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Basic Information
| ChEMBL ID | CHEMBL172269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMRUDKCMAGXDNT-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
4.31
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
Kd 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 7.82 | 7.82 | 15.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.38 | 6.38 | 416.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 15.14 | nM | 7.82 | Antagonistic affinity measured as pA2 value on 5-hydroxytryptamine 2B receptor o... | 7699699 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 416.87 | nM | 6.38 | Antagonistic binding affinity measured against 5-hydroxytryptamine 2C receptor (... | 7699699 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 6309.57 | nM | 5.2 | Antagonistic binding affinity measured against 5-hydroxytryptamine 2A receptor (... | 7699699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699699 | 10.1021/jm00006a001 | 5-hydroxytryptamine receptor 2B | 1 |
| 7699699 | 10.1021/jm00006a001 | 5-hydroxytryptamine receptor 2C | 1 |
| 7699699 | 10.1021/jm00006a001 | 5-hydroxytryptamine receptor 2A | 1 |
| 7699699 | 10.1021/jm00006a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine