Compound Detail
CHEMBL484742
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
Basic Information
| ChEMBL ID | CHEMBL484742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSIMRAQOAKLGIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.92
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 199.53 | nM | 6.7 | Inhibition of [3H]5HT reuptake at SERT in rat cortical synaptosomes | 18829312 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1258.93 | nM | 5.9 | Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells | 18829312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829312 | 10.1016/j.bmcl.2008.08.110 | 5-hydroxytryptamine receptor 1A | 1 |
| 18829312 | 10.1016/j.bmcl.2008.08.110 | 5-hydroxytryptamine receptor 1B | 1 |
| 18829312 | 10.1016/j.bmcl.2008.08.110 | 5-hydroxytryptamine receptor 1D | 1 |
| 18829312 | 10.1016/j.bmcl.2008.08.110 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine