Compound Detail
CHEMBL574598
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL574598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWOMYJDHHOHGFY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1197504 |
| Active Moiety | CHEMBL1197504 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
4.99
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.47 | 6.47 | 338.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]DTG form sigma 2 receptor in Wistar Hannover rat liver membr... | 19842660 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 23.0 | nM | 7.64 | Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane ... | 19842660 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 338.0 | nM | 6.47 | Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-... | 19842660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19842660 | 10.1021/jm9007505 | 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 |
Data from ChEMBL 36 via Core Engine