Compound Detail
CHEMBL1628670
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Basic Information
| ChEMBL ID | CHEMBL1628670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOSKJKGKWRIMGV-DGCLKSJQSA-N |
1
Targets
5
Activities
2
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
2.25
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.1
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.1 | 7.98 | 8.0 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.0 | 7.99 | 10.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.037 | hr | Rattus norvegicus |
| T1/2 | 0.06233 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at human 5-HT2C receptor assessed as stimulation of Ca2+ mobili... | 24491146 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at 5HT2C receptor (unknown origin) relative to control | 25633969 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 10.0 | nM | 8.0 | Displacement of [125I]DOI from human 5-HT2C receptor | 24491146 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 10.5 | nM | 7.98 | Binding affinity to 5HT2C receptor (unknown origin) | 31952960 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 18.2 | nM | 7.74 | Intracellular Calcium Assay: Cell Lines and Cell Culture.The PathHunter® U2OS HT... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32567857 | 10.1021/acs.jmedchem.9b01953 | Rattus norvegicus | 8 |
| 24491146 | 10.1021/jm401802f | 5-hydroxytryptamine receptor 2C | 2 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2C | 2 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 2C | 2 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2B | 1 |
| 31952960 | 10.1016/j.bmcl.2019.126929 | 5-hydroxytryptamine receptor 2C | 1 |
| 31952960 | 10.1016/j.bmcl.2019.126929 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 31952960 | 10.1016/j.bmcl.2019.126929 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine