Compound Detail
CHEMBL136149
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Basic Information
| ChEMBL ID | CHEMBL136149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIHDQXVQZPHSJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.0
MW (Da)
4.09
ALogP
4
HBA
2
HBD
102.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibition of Thromboxane A2 synthase | 1447738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447738 | 10.1021/jm00101a015 | Thromboxane-A synthase | 1 |
| 1447738 | 10.1021/jm00101a015 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine