Compound Detail
CHEMBL95067
DISULERGINE 🧪 Phase II
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🧪 Phase II
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL95067 |
| Name | DISULERGINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VUEGYUOUAAVYAS-JGGQBBKZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
Molecular Properties
348.5
MW (Da)
1.28
ALogP
3
HBA
2
HBD
68.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 18.0 | nM | 7.75 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 21.0 | nM | 7.68 | Binding affinity towards rat 5-hydroxytryptamine 7 receptor | 12825922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 2 |
Data from ChEMBL 36 via Core Engine