Compound Detail
CHEMBL113600
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 | CHEMBL113600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQXXEPZFOOTTBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
176.3
MW (Da)
1.09
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 4.98 | 4.98 | 10480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 10480.0 | nM | 4.98 | Binding affinity towards sigma receptor in guinea pig brain membranes using [3H]... | 1662725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16936720 | 10.1038/nchembio814 | Caspase-3 | 2 |
| 1662725 | 10.1021/jm00116a003 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1479590 | 10.1021/jm00104a017 | Serotonin 2 (5-HT2) receptor | 1 |
| 1479590 | 10.1021/jm00104a017 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine