Compound Detail
CHEMBL544992
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Basic Information
| ChEMBL ID | CHEMBL544992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSSZMDIXZDSZIF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL53649 |
| Active Moiety | CHEMBL53649 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
3.17
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.51 | nM | 8.6 | Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig bra... | 12747784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747784 | 10.1021/jm021014d | Sigma non-opioid intracellular receptor 1 | 1 |
| 12747784 | 10.1021/jm021014d | Sigma 2 receptor | 1 |
| 12747784 | 10.1021/jm021014d | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
Data from ChEMBL 36 via Core Engine