Compound Detail
CHEMBL257559
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
Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2C(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL257559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBLREKVURSMNNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
7.64
ALogP
5
HBA
2
HBD
77.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Ki | = | 60.0 | nM | 7.22 | Binding affinity to human P2Y1 receptor | 18445527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18445527 | 10.1016/j.bmcl.2008.04.028 | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine