Compound Detail
CHEMBL3736502
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Basic Information
| ChEMBL ID | CHEMBL3736502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXPJTEPRVLKIKC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.45
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 3.8 | nM | 8.42 | Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed i... | 26531150 |
| 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 | = | 24.0 | nM | 7.62 | 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 | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine