Compound Detail
CHEMBL98952
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Basic Information
| ChEMBL ID | CHEMBL98952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWXNYXIUPZQNRL-DEDYPNTBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.96
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 28.0 | nM | 7.55 | Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubati... | 4038746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4038746 | 10.1021/jm00381a005 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine