Compound Detail
CHEMBL6060204
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
CCc1cnc(-c2cc(O[C@H]3CCOC3)cc(C(=O)N[C@H](C)c3ccc(C)nn3)c2)s1
Basic Information
| ChEMBL ID | CHEMBL6060204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXXUGGORGDKECE-QAPCUYQASA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
4.13
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 7.96 | 7.96 | 11.0 | 3 |
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 7.24 | 7.24 | 57.0 | 2 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 11.0 | nM | 7.96 | Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 an... | - |
| P2X purinoceptor 3 | IC50 | = | 11.0 | nM | 7.96 | Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 an... | - |
| P2X purinoceptor 3 | IC50 | = | 11.0 | nM | 7.96 | Biological Assay: A fluorescent imaging plate reader (FILEX/FLIPR station; Molec... | - |
| P2X purinoceptor 2 | IC50 | = | 57.0 | nM | 7.24 | Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 an... | - |
| P2X purinoceptor 2 | IC50 | = | 57.0 | nM | 7.24 | Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 an... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 57.0 | nM | 7.24 | Biological Assay: A fluorescent imaging plate reader (FILEX/FLIPR station; Molec... | - |
Data from ChEMBL 36 via Core Engine