Compound Detail
CHEMBL4640137
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Basic Information
| ChEMBL ID | CHEMBL4640137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLWQEQLUGYXNFJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.20
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain me... | 32435366 |
| Sigma intracellular receptor 2 | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver memb... | 32435366 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 108.0 | nM | 6.97 | Displacement of [3H]ifenprodil from GluN2B (unknown origin) expressed in mouse L... | 32435366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435366 | 10.1021/acsmedchemlett.9b00524 | No relevant target | 2 |
| 32435366 | 10.1021/acsmedchemlett.9b00524 | Sigma non-opioid intracellular receptor 1 | 1 |
| 32435366 | 10.1021/acsmedchemlett.9b00524 | Sigma intracellular receptor 2 | 1 |
| 32435366 | 10.1021/acsmedchemlett.9b00524 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 32435366 | 10.1021/acsmedchemlett.9b00524 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine