Compound Detail
CHEMBL557994
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Basic Information
| ChEMBL ID | CHEMBL557994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYDYFBLSMOGONY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196726 |
| Active Moiety | CHEMBL1196726 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
1.92
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.41 | 7.41 | 39.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 39.0 | nM | 7.41 | Inhibitory activity against Thromboxane synthetase | 7199089 |
| Thromboxane-A synthase | IC50 | = | 39.0 | nM | 7.41 | Inhibitory activity against human thromboxane synthetase | 7199088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7199089 | 10.1021/jm00142a006 | Thromboxane-A synthase | 1 |
| 7199088 | 10.1021/jm00142a005 | Thromboxane-A synthase | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 3 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Unchecked | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine