Compound Detail
CHEMBL3797704
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Basic Information
| ChEMBL ID | CHEMBL3797704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POELJSDUJBIBGG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.35
ALogP
4
HBA
1
HBD
39.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.26 | 6.26 | 549.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.16 | 6.16 | 697.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 549.0 | nM | 6.26 | Displacement of [3H]DTG from sigma2 receptor in rat liver homogenate incubated f... | 27061977 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 697.0 | nM | 6.16 | Displacement of [3H]ifenprodil from recombinant human GluN2B expressed in mouse ... | 27061977 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4000.0 | nM | 5.4 | Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain ho... | 27061977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27061977 | 10.1016/j.ejmech.2016.03.065 | Unchecked | 2 |
| 27061977 | 10.1016/j.ejmech.2016.03.065 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 27061977 | 10.1016/j.ejmech.2016.03.065 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine