Compound Detail
CHEMBL323778
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O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL323778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRHQGOAVVGUACS-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
3.96
ALogP
6
HBA
1
HBD
91.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.51 | 6.51 | 309.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.82 | nM | 8.74 | Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 usin... | 12392747 |
| Alpha-1B adrenergic receptor | Ki | = | 309.03 | nM | 6.51 | Binding affinity towards Alpha-1B adrenergic receptor | 12392747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392747 | 10.1016/s0960-894x(02)00690-x | 5-hydroxytryptamine receptor 7 | 1 |
| 12392747 | 10.1016/s0960-894x(02)00690-x | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine