Compound Detail
CHEMBL362354
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O=S(=O)(c1ccc2c(c1)CC=C2)N1CCC[C@@H]1CCN1CCC(Oc2ccc(Cl)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL362354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUTYKNFWWQEFOI-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.1
MW (Da)
5.00
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.25 | 6.25 | 562.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.99 | nM | 8.7 | Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor | 15267230 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 562.0 | nM | 6.25 | Inhibition of [3H]8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor | 15267230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267230 | 10.1021/jm0498102 | 5-hydroxytryptamine receptor 7 | 2 |
| 15267230 | 10.1021/jm0498102 | 5-hydroxytryptamine receptor 1A | 1 |
| 15267230 | 10.1021/jm0498102 | D(2) dopamine receptor | 1 |
| 15267230 | 10.1021/jm0498102 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine