Compound Detail
CHEMBL287068
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
CSc1ccc(CCCCNC(=O)c2coc(C3C4CCC(O4)C3Cc3ccccc3CCC(=O)O)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL287068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDSNEOPPPKZWIV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
5.67
ALogP
6
HBA
2
HBD
101.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Kd 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 8.54 | 8.54 | 2.9 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 2.9 | nM | 8.54 | Inhibitory binding activity against TXA2 receptor in human platelet membrane, us... | 8496908 |
| Homo sapiens | IC50 | = | 6.0 | nM | 8.22 | Inhibitory activity against platelet aggregation, induced by arachidonic acid in... | 8496908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496908 | 10.1021/jm00062a013 | No relevant target | 1 |
| 8496908 | 10.1021/jm00062a013 | Homo sapiens | 1 |
| 8496908 | 10.1021/jm00062a013 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine