Compound Detail
CHEMBL114345
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL114345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFQVHBZRRZBJFS-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.45
ALogP
4
HBA
1
HBD
73.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.72 | 7.72 | 19.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 0.8318 | nM | 9.08 | Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 usin... | 12392747 |
| Alpha-1B adrenergic receptor | Ki | = | 19.05 | nM | 7.72 | 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