Compound Detail
CHEMBL30377
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
O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC(=O)NC2CCCCC2)co1
Basic Information
| ChEMBL ID | CHEMBL30377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WELWIILLEUCEMX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
4.54
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Kd 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 7.66 | 7.66 | 22.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.57 | 7.33 | 27.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 22.0 | nM | 7.66 | Inhibitory binding activity against TXA2 receptor in human platelet membrane, us... | 8496908 |
| Homo sapiens | IC50 | = | 27.0 | nM | 7.57 | Inhibitory activity against platelet aggregation, induced by arachidonic acid in... | 8496908 |
| Homo sapiens | IC50 | = | 82.0 | nM | 7.09 | Inhibitory activity against platelet aggregation, induced by U-46619 in human pl... | 8496908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496908 | 10.1021/jm00062a013 | Homo sapiens | 2 |
| 8496908 | 10.1021/jm00062a013 | No relevant target | 1 |
| 8496908 | 10.1021/jm00062a013 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine