Compound Detail
CHEMBL5883285
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
Cc1cnc(-c2cc(OCC3(F)CCCN(C)C3)cc(C(=O)N[C@@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
Basic Information
| ChEMBL ID | CHEMBL5883285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEEGJUGZAOELQB-FXIRQEPWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
5.23
ALogP
7
HBA
1
HBD
80.2
PSA (Ų)
0.42
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 5.0 | nM | 8.3 | Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 an... | - |
| P2X purinoceptor 3 | IC50 | = | 5.0 | nM | 8.3 | Intracellular Calcium Measurement to Assess Antagonist Activity : A fluorescent ... | - |
| P2X purinoceptor 2 | IC50 | = | 310.0 | nM | 6.51 | Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 an... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 310.0 | nM | 6.51 | Intracellular Calcium Measurement to Assess Antagonist Activity : A fluorescent ... | - |
Data from ChEMBL 36 via Core Engine