Compound Detail
CHEMBL4170813
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 | CHEMBL4170813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIRNGNXKDWRMQW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
5.39
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.25 | 5.25 | 5600.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.0 | 5.0 | 10100.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 4.38 | 4.38 | 41800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 5600.0 | nM | 5.25 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell memb... | 29679900 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 10100.0 | nM | 5.0 | Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell me... | 29679900 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 41800.0 | nM | 4.38 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 ce... | 29679900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29679900 | 10.1016/j.ejmech.2018.04.010 | Unchecked | 3 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 1A | 1 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 6 | 1 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine