Compound Detail
CHEMBL44998
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Basic Information
| ChEMBL ID | CHEMBL44998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPPXCGRXUNGPFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.8
MW (Da)
3.55
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | Kd | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 100.0 | nM | 7.0 | Compound was tested for TXA2 receptor antagonism by measuring its ability to inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00299-5 | Thromboxane A2 receptor | 1 |
| - | 10.1016/0960-894X(96)00299-5 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine