Compound Detail
CHEMBL4213789
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 | CHEMBL4213789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGZIUEWNZBZNCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
4.51
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.99 | 6.99 | 102.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 ce... | 29269256 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 102.0 | nM | 6.99 | Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 c... | 29269256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29269256 | 10.1016/j.bmc.2017.12.016 | 5-hydroxytryptamine receptor 1A | 1 |
| 29269256 | 10.1016/j.bmc.2017.12.016 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine