Compound Detail
CHEMBL103656
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
Basic Information
| ChEMBL ID | CHEMBL103656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQMLBXJDMVUDAY-ZBJSNUHESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.13
ALogP
7
HBA
1
HBD
85.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL4028 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 730.0 | nM | 6.14 | In vitro inhibition of thromboxane B2 production in rat whole blood. | 8411014 |
| Cavia porcellus | IC50 | = | 1670.0 | nM | 5.78 | Inhibition of K+ induced contractions of the isolated guinea pig ileum. | 8411014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411014 | 10.1021/jm00072a017 | Thromboxane-A synthase | 1 |
| 8411014 | 10.1021/jm00072a017 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine