Compound Detail
CHEMBL554990
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Basic Information
| ChEMBL ID | CHEMBL554990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEMYMINDMWKCBZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL74733 |
| Active Moiety | CHEMBL74733 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
1.88
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL4028 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 10.0 | nM | 8.0 | Tested for inhibition of thromboxane synthetase from spontaneously hypertensive ... | 3681898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3681898 | 10.1021/jm00395a016 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine