Compound Detail
CHEMBL4203850
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O=C(Cc1ccc(Cl)c(Cl)c1)N1CC2OCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2C(N2CCCC2)C1
Basic Information
| ChEMBL ID | CHEMBL4203850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJWQCEQPZXVRBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
585.4
MW (Da)
4.99
ALogP
4
HBA
0
HBD
53.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.0 | 6.0 | 991.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 991.0 | nM | 6.0 | Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00441E | Delta-type opioid receptor | 1 |
| - | 10.1039/C6MD00441E | Mu-type opioid receptor | 1 |
| - | 10.1039/C6MD00441E | Kappa-type opioid receptor | 1 |
| - | 10.1039/C6MD00441E | Sigma non-opioid intracellular receptor 1 | 1 |
| - | 10.1039/C6MD00441E | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine