Compound Detail
CHEMBL4091621
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Basic Information
| ChEMBL ID | CHEMBL4091621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFHCSNDHEQBRLY-PXDATVDWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.0
MW (Da)
4.53
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.77 | 6.77 | 171.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 29220177 |
| Unchecked | Ki | = | 171.0 | nM | 6.77 | Displacement of [3H]-(+)-DTG from sigma2 receptor in guinea pig brain membrane a... | 29220177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29220177 | 10.1021/acs.jmedchem.7b01584 | Unchecked | 2 |
| 29220177 | 10.1021/acs.jmedchem.7b01584 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine