Compound Detail
CHEMBL573932
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Basic Information
| ChEMBL ID | CHEMBL573932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWKIYRJZRRXZFW-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.6
MW (Da)
6.33
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.96
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.96 | 8.96 | 1.1 | 2 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 8.84 | 8.84 | 1.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.58 | 7.58 | 26.6 | 2 |
| SK-N-SH CHEMBL614924 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-... | 19842660 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.1 | nM | 8.96 | Displacement of (+)-[3H]-pentazocine from sigma-1 opioid receptor in guinea pig ... | 23734634 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 1.46 | nM | 8.84 | Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane ... | 19842660 |
| Unchecked | Ki | = | 26.6 | nM | 7.58 | Displacement of [3H]DTG form sigma 2 receptor in Wistar Hannover rat liver membr... | 19842660 |
| Unchecked | Ki | = | 26.6 | nM | 7.58 | Displacement of [3H]-DTG from sigma-2 opioid receptor in rat liver | 23734634 |
| SK-N-SH | EC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human SK-N-SH cells after 48 hrs by MTT assay | 19842660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19842660 | 10.1021/jm9007505 | Unchecked | 2 |
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| 19842660 | 10.1021/jm9007505 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19842660 | 10.1021/jm9007505 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 19842660 | 10.1021/jm9007505 | SK-N-SH | 1 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine