Compound Detail
CHEMBL3184128
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
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3184128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGHZXLIDFTYFHQ-UHFFFAOYSA-L |
| Parent Compound | CHEMBL3350615 |
| Active Moiety | CHEMBL3350615 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
748.9
MW (Da)
5.71
ALogP
8
HBA
2
HBD
172.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pannexin-1 CHEMBL4879520 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pannexin-1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of mouse Panx-1 expressed in Xenopus laevis oocytes assessed as inhib... | 34174741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34174741 | 10.1016/j.ejmech.2021.113650 | Pannexin-1 | 1 |
Data from ChEMBL 36 via Core Engine