Compound Detail
CHEMBL4865307
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Basic Information
| ChEMBL ID | CHEMBL4865307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWMMMNZRBWMHKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.53
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 9.0 | nM | 8.05 | Binding affinity to Sigma 2-receptor (unknown origin) | 34531947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34531947 | 10.1021/acsmedchemlett.1c00048 | N2a | 1 |
| 34531947 | 10.1021/acsmedchemlett.1c00048 | Sigma intracellular receptor 2 | 1 |
| 34531947 | 10.1021/acsmedchemlett.1c00048 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine