Compound Detail
CHEMBL6023464
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(c1ccc(F)c(C(F)(F)F)c1Cl)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2
Basic Information
| ChEMBL ID | CHEMBL6023464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTQTUXJAFONBHH-XHDPSFHLSA-N |
3
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.8
MW (Da)
4.90
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Ki 6 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL2496 | Ki | 8.49 | 8.49 | 3.2 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.49 | 8.14 | 3.2 | 3 |
| P2X purinoceptor 7 CHEMBL5183 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 8.0 | 7.945 | 10.0 | 2 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 7.99 | 7.99 | 10.2 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.89 | 7.8833 | 13.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine