Compound Detail
CHEMBL4513837
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Basic Information
| ChEMBL ID | CHEMBL4513837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSSRNSHXCDBXPR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.28
ALogP
3
HBA
2
HBD
32.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.69 | 6.69 | 204.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.22 | 6.22 | 606.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.13 | 6.13 | 737.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 204.0 | nM | 6.69 | Displacement of [3H]-ifenprodil from GluN2B (unknown origin) expressed in rat L(... | 30881618 |
| Sigma intracellular receptor 2 | Ki | = | 606.0 | nM | 6.22 | Displacement of [3H]di-o-tolylguanidine from sigma2 receptor in rat liver membra... | 30881618 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 737.0 | nM | 6.13 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 30881618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30881618 | 10.1039/C8MD00545A | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 30881618 | 10.1039/C8MD00545A | Sigma non-opioid intracellular receptor 1 | 1 |
| 30881618 | 10.1039/C8MD00545A | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine