Compound Detail
CHEMBL1822596
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COc1cccc2c1CCCC2CCCN1CCN(C2CCN(CCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL1822596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONHMLBMNJKTCQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
704.0
MW (Da)
6.74
ALogP
7
HBA
1
HBD
68.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.3 | 5.3 | 5020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5020.0 | nM | 5.3 | Displacement of [3H]-DTG from sigma 2 receptor from rat liver in presence of pan... | 21744858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21744858 | 10.1021/jm200591t | Sigma non-opioid intracellular receptor 1 | 1 |
| 21744858 | 10.1021/jm200591t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine