Compound Detail
CHEMBL1376064
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 | CHEMBL1376064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDLSITKDRVDKRV-JSUROZADSA-N |
| Parent Compound | CHEMBL489553 |
| Active Moiety | CHEMBL489553 |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.35
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.23 | 6.23 | 587.1 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.59 | 5.59 | 2583.8 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.57 | 5.57 | 2667.2 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 5.43 | 5.43 | 3727.3 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.39 | 5.39 | 4054.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.11 | 5.11 | 7852.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 587.13 | nM | 6.23 | PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentra... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 2583.75 | nM | 5.59 | PDSP Secondary Binding target: SLC6A2 - Compounds are tested at 10 uM concentrat... | - |
| Sigma intracellular receptor 2 | Ki | = | 2667.16 | nM | 5.57 | PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat... | - |
| Beta-3 adrenergic receptor | Ki | = | 3727.35 | nM | 5.43 | PDSP Secondary Binding target: ADRB3 - Compounds are tested at 10 uM concentrati... | - |
| Sodium-dependent serotonin transporter | Ki | = | 4054.15 | nM | 5.39 | PDSP Secondary Binding target: SLC6A4 - Compounds are tested at 10 uM concentrat... | - |
| Mu-type opioid receptor | Ki | = | 7852.36 | nM | 5.11 | PDSP Secondary Binding target: OPRM1 - Compounds are tested at 10 uM concentrati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 24 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 4 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5060014 | Fibroblast growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine