Compound Detail
CHEMBL3753075
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Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL3753075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEPAZHSJKGQJML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.1
MW (Da)
5.00
ALogP
4
HBA
1
HBD
73.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.36 | 7.36 | 43.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 43.5 | nM | 7.36 | Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain mem... | 26748694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26748694 | 10.1016/j.bmcl.2015.12.071 | 5-hydroxytryptamine receptor 2C | 1 |
| 26748694 | 10.1016/j.bmcl.2015.12.071 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine