Compound Detail
CHEMBL3697510
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(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CCC[C@@H]1c1nnc(-c3ncccn3)n1C2
Basic Information
| ChEMBL ID | CHEMBL3697510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCWVNMGJKGGYLS-SMDDNHRTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.8
MW (Da)
4.16
ALogP
6
HBA
0
HBD
76.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL2496 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | Ki | = | 50.0 | nM | 7.3 | Ca2+ Flux Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
| P2X purinoceptor 7 | Ki | = | 50.0 | nM | 7.3 | Ca2+ Flux Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
Data from ChEMBL 36 via Core Engine