Compound Detail
CHEMBL5418697
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Basic Information
| ChEMBL ID | CHEMBL5418697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXINDCXNTQQYNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.51
ALogP
6
HBA
2
HBD
83.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.57 | 5.57 | 2664.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 2664.0 | nM | 5.57 | Displacement of [3H](+)-ditolylguanidine from human sigma 2 receptor transfected... | 36692906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36692906 | 10.1021/acs.jmedchem.2c01769 | Sigma intracellular receptor 2 | 1 |
| 36692906 | 10.1021/acs.jmedchem.2c01769 | MIA PaCa-2 | 1 |
Data from ChEMBL 36 via Core Engine