Compound Detail
CHEMBL136905
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Basic Information
| ChEMBL ID | CHEMBL136905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLVGIQPXEAVYCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
5.08
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 100.0 | nM | 7.0 | The compound was tested in vitro for its inhibitory activity against thromboxane... | 1447737 |
| Homo sapiens | IC50 | = | 1390.0 | nM | 5.86 | The compound was tested in vitro for its inhibitory activity against U 46619-ind... | 1447737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447737 | 10.1021/jm00101a014 | Thromboxane-A synthase | 1 |
| 1447737 | 10.1021/jm00101a014 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine