Compound Detail
CHEMBL573695
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 | CHEMBL573695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRQQSSMLBDVMEK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
5.30
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.72
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.26
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.26 | 8.26 | 5.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 7.98 | 7.98 | 10.4 | 1 |
| SK-N-SH CHEMBL614924 | EC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 5.56 | nM | 8.26 | Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-... | 19842660 |
| Unchecked | Ki | = | 9.27 | nM | 8.03 | Displacement of [3H]DTG form sigma 2 receptor in Wistar Hannover rat liver membr... | 19842660 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 10.4 | nM | 7.98 | Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane ... | 19842660 |
| SK-N-SH | EC50 | = | 15900.0 | nM | 4.8 | 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 |
| 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