Compound Detail
CHEMBL1783454
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Basic Information
| ChEMBL ID | CHEMBL1783454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUODIYLJFSKPDU-XMMPIXPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.87
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.56 | 5.56 | 2750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor PCP binding site in g... | 21444132 |
| Unchecked | Ki | = | 2750.0 | nM | 5.56 | Displacement of [3H]-ditolylguanidine from sigma 2 receptor PCP binding site in ... | 21444132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Unchecked | 2 |
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine