Compound Detail
CHEMBL255534
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
Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C(c2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL255534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZSWOUQBABEFPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.7
MW (Da)
5.74
ALogP
3
HBA
1
HBD
71.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 630.0 | nM | 6.2 | Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of c... | 18272365 |
| P2X purinoceptor 7 | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of... | 18272365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18272365 | 10.1016/j.bmcl.2008.01.094 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine