Compound Detail
CHEMBL4064312
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Basic Information
| ChEMBL ID | CHEMBL4064312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGUAQYXGDVSXPL-BWKNWUBXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.0
MW (Da)
4.53
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.68 | 6.68 | 209.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 29220177 |
| Unchecked | Ki | = | 209.0 | nM | 6.68 | 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 | Mus musculus | 2 |
| 29220177 | 10.1021/acs.jmedchem.7b01584 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine