Compound Detail
CHEMBL76301
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Basic Information
| ChEMBL ID | CHEMBL76301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZFPTLZBQZDFHT-ZETCQYMHSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.1
MW (Da)
2.14
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.66
Ki 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.19 | 7.19 | 64.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.86 | 6.86 | 139.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.37 | 6.37 | 432.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 17.0 | nM | 7.77 | Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell l... | 15081042 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 22.0 | nM | 7.66 | Functional activity against human 5-hydroxytryptamine 2B receptor expressed in C... | 15081042 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 38.0 | nM | 7.42 | Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell l... | 15081042 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 64.0 | nM | 7.19 | Functional activity against human 5-hydroxytryptamine 2C receptor expressed in C... | 15081042 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 139.0 | nM | 6.86 | Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell l... | 15081042 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 432.0 | nM | 6.37 | 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 |
Data from ChEMBL 36 via Core Engine