Compound Detail
CHEMBL276784
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 | CHEMBL276784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWQSCIOWKPWNLB-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
307.5
MW (Da)
4.96
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.31
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.31 | 9.08 | 0.5 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.38 | 5.38 | 4120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.49 | nM | 9.31 | Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidin... | 15634021 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.4 | nM | 8.85 | Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine | 15634021 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 120.0 | nM | 6.92 | Binding affinity against 5-hydroxytryptamine 2A receptor | 7707322 |
| C-C chemokine receptor type 3 | IC50 | = | 3800.0 | nM | 5.42 | Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) e... | 12166951 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 4120.0 | nM | 5.38 | Binding affinity against 5-hydroxytryptamine 2C receptor | 7707322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634021 | 10.1021/jm049433t | Sigma non-opioid intracellular receptor 1 | 3 |
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 1 | 1 |
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 3 | 1 |
| 7707322 | 10.1021/jm00007a016 | 5-hydroxytryptamine receptor 2A | 1 |
| 7707322 | 10.1021/jm00007a016 | 5-hydroxytryptamine receptor 2C | 1 |
| 7707322 | 10.1021/jm00007a016 | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| 15634021 | 10.1021/jm049433t | 5-hydroxytryptamine receptor 1A | 1 |
| 15634021 | 10.1021/jm049433t | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine