Compound Detail
CHEMBL3735947
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 | CHEMBL3735947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCIHOOYQUGPXHZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.06
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed i... | 26531150 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]ifenprodil from human recombinant GluN2B expressed in mouse ... | 31843460 |
| Unchecked | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by scintilla... | 26531150 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain co... | 26531150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26531150 | 10.1016/j.bmcl.2015.10.076 | Unchecked | 4 |
| 26531150 | 10.1016/j.bmcl.2015.10.076 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 26531150 | 10.1016/j.bmcl.2015.10.076 | Sigma non-opioid intracellular receptor 1 | 1 |
| 31843460 | 10.1016/j.bmc.2019.115245 | Glutamate receptor ionotropic, NMDA 2B | 1 |
Data from ChEMBL 36 via Core Engine