Compound Detail
CHEMBL5773572
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Cc1c(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)cccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5773572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRDLOQRHDZBNHI-KBXCAEBGSA-N |
3
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.42
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.61
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 | 8.1167 | 3.2 | 3 |
| P2X purinoceptor 7 CHEMBL5183 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 8.0 | 7.07 | 10.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.0 | 7.9 | 10.0 | 3 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 6.14 | 6.14 | 726.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine