Compound Detail
CHEMBL609306
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Basic Information
| ChEMBL ID | CHEMBL609306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUUPVTVQRVHGPI-INIZCTEOSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
3.21
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.0
Ki 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.06 | 7.06 | 87.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 0.1 | nM | 10.0 | Agonist activity against human 5HT2C receptor by FLIPR assay | 19914063 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 0.7 | nM | 9.15 | Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT | 19914063 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.0 | nM | 9.0 | Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells | 19914063 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 87.0 | nM | 7.06 | Agonist activity against human 5HT2A receptor by FLIPR assay | 19914063 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 300.0 | nM | 6.52 | Agonist activity against human 5HT2B receptor by FLIPR assay | 19914063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19914063 | 10.1016/j.bmcl.2009.10.112 | 5-hydroxytryptamine receptor 2C | 3 |
| 19914063 | 10.1016/j.bmcl.2009.10.112 | 5-hydroxytryptamine receptor 2A | 3 |
| 19914063 | 10.1016/j.bmcl.2009.10.112 | 5-hydroxytryptamine receptor 2B | 3 |
Data from ChEMBL 36 via Core Engine