Compound Detail
CHEMBL145982
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CN(CC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL145982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKHZOVXQNVSNRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
3.71
ALogP
6
HBA
1
HBD
87.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 1.6 | nM | 8.8 | Displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 1D receptor... | 10585208 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 18.0 | nM | 7.75 | Displacement of [3H]5-HT binding to cloned 5-hydroxytryptamine 1B receptor stabl... | 10585208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10585208 | 10.1021/jm9910021 | 5-hydroxytryptamine receptor 1D | 1 |
| 10585208 | 10.1021/jm9910021 | 5-hydroxytryptamine receptor 1B | 1 |
| 10585208 | 10.1021/jm9910021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine