Compound Detail
CHEMBL309760
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Basic Information
| ChEMBL ID | CHEMBL309760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGRQJMXAQYGAKK-QMMMGPOBSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
2.16
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Ki 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.46 | 6.46 | 351.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.14 | 6.14 | 719.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | EC50 | = | 11.0 | nM | 7.96 | Functional activity against human 5-hydroxytryptamine 2B receptor expressed in C... | 15081042 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 24.0 | nM | 7.62 | Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell l... | 15081042 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 44.0 | nM | 7.36 | Functional activity against human 5-hydroxytryptamine 2C receptor expressed in C... | 15081042 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 46.0 | nM | 7.34 | Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell l... | 15081042 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 351.0 | nM | 6.46 | Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell l... | 15081042 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 719.0 | nM | 6.14 | Functional activity against human 5-hydroxytryptamine 2A receptor expressed in C... | 15081042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081042 | 10.1016/j.bmcl.2003.05.001 | 5-hydroxytryptamine receptor 2A | 3 |
| 15081042 | 10.1016/j.bmcl.2003.05.001 | 5-hydroxytryptamine receptor 2B | 3 |
| 15081042 | 10.1016/j.bmcl.2003.05.001 | 5-hydroxytryptamine receptor 2C | 3 |
| 15081042 | 10.1016/j.bmcl.2003.05.001 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine