Compound Detail
CHEMBL6056547
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O=C(c1ccnc(C(F)(F)F)c1Cl)N1[C@H]2CCC[C@@H]1c1nnc(-c3ccccn3)n1C2
Basic Information
| ChEMBL ID | CHEMBL6056547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUKNODUFIBPIAZ-SMDDNHRTSA-N |
3
Targets
12
Activities
2
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
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.9
Ki 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL2496 | Ki | 8.3 | 8.3 | 5.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.3 | 7.8333 | 5.0 | 3 |
| P2X purinoceptor 7 CHEMBL5183 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 7.9 | 7.9 | 12.7 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.89 | 7.19 | 13.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.53 | 7.18 | 29.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine