Compound Detail
CHEMBL544377
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Basic Information
| ChEMBL ID | CHEMBL544377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFZGUSFWQNGUON-UHFFFAOYSA-N |
| Parent Compound | CHEMBL138325 |
| Active Moiety | CHEMBL138325 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
3.83
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.7 | 6.96 | 20.0 | 2 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against U-46,619-induced aggregation of washed human platele... | 1447736 |
| Thromboxane-A synthase | IC50 | = | 220.0 | nM | 6.66 | Inhibitory activity against human Thromboxane A2 synthase | 1447736 |
| Homo sapiens | IC50 | = | 600.0 | nM | 6.22 | Antagonist activity against U-46,619-induced aggregation of platelet rich plasma... | 1447736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447736 | 10.1021/jm00101a013 | Homo sapiens | 2 |
| 1447736 | 10.1021/jm00101a013 | Thromboxane-A synthase | 1 |
| 1447736 | 10.1021/jm00101a013 | Oryctolagus cuniculus | 1 |
| 1447736 | 10.1021/jm00101a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine