Compound Detail
CHEMBL4474747
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
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(C(=O)N2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL4474747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCLDKIULKLDSCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.0
MW (Da)
3.43
ALogP
6
HBA
2
HBD
128.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 37.5 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 45.0 | nM | 7.35 | Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed a... | 31746599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31746599 | 10.1021/acs.jmedchem.9b01304 | P2X purinoceptor 4 | 1 |
| 31746599 | 10.1021/acs.jmedchem.9b01304 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 31746599 | 10.1021/acs.jmedchem.9b01304 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine