Compound Detail
CHEMBL5199426
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
O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c2c(N3CCOCC3)nc(Cl)nc21)Nc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5199426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULOOZIZLBNRNAM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.4
MW (Da)
3.42
ALogP
8
HBA
1
HBD
94.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 5.06 | 5.06 | 8720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 8720.0 | nM | 5.06 | Antagonist activity at human P2X3R expressed in HEK293 cells assessed as reducti... | 35849939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35849939 | 10.1016/j.ejmech.2022.114556 | P2X purinoceptor 3 | 1 |
Data from ChEMBL 36 via Core Engine