Compound Detail
CHEMBL1935599
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 | CHEMBL1935599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWYHJSSIWDLJIQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
9
PK Parameters
8
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.56
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3372 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 368.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 17.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 209.24 | nM | Rattus norvegicus |
| F | 6.0 | % | Rattus norvegicus |
| T1/2 | 0.9 | hr | Rattus norvegicus |
| T1/2 | 0.3167 | hr | Homo sapiens |
| T1/2 | 0.6667 | hr | Canis lupus familiaris |
| T1/2 | 0.4167 | hr | Rattus norvegicus |
| Vd | 1.4 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.1 | nM | 8.68 | Displacement of [3H]LSD from full length human 5HT6 receptor | 22153937 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 6.8 | nM | 8.17 | Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocyt... | 22153937 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]LSD from full length rat 5HT6 receptor | 22153937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153937 | 10.1016/j.bmcl.2011.11.050 | Rattus norvegicus | 6 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | 5-hydroxytryptamine receptor 6 | 3 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | Liver microsomes | 2 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | Brain | 1 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | Liver | 1 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | No relevant target | 1 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22153937 | 10.1016/j.bmcl.2011.11.050 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine