Compound Detail
CHEMBL3769904
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 | CHEMBL3769904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYNYCRXJGVFMSF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
4.02
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.72 | 7.72 | 19.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.79 | 6.79 | 162.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.995 | nM | 8.7 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain m... | 26874044 |
| Unchecked | Ki | = | 19.05 | nM | 7.72 | Displacement of [3H]DTG from sigma-2 receptor in guinea pig brain membranes afte... | 26874044 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 162.18 | nM | 6.79 | Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells af... | 26874044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26874044 | 10.1016/j.ejmech.2016.01.059 | Unchecked | 4 |
| 26874044 | 10.1016/j.ejmech.2016.01.059 | Sigma non-opioid intracellular receptor 1 | 1 |
| 26874044 | 10.1016/j.ejmech.2016.01.059 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine