Compound Detail
CHEMBL1829806
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Basic Information
| ChEMBL ID | CHEMBL1829806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUMBJRZRFUYUMM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
3.82
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Kd 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL1795181 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Thromboxane A2 receptor CHEMBL1795181 | Kd | 7.58 | 7.58 | 26.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Kd | 6.48 | 6.48 | 328.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | IC50 | = | 3.1 | nM | 8.51 | Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A ce... | 21863799 |
| Thromboxane A2 receptor | Kd | = | 26.0 | nM | 7.58 | Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-... | 21863799 |
| Thromboxane A2 receptor | IC50 | = | 131.0 | nM | 6.88 | Antagonist activity at human prostanoid TP receptor expressed in QBI-HEK 293A ce... | 21863799 |
| Thromboxane A2 receptor | Kd | = | 328.0 | nM | 6.48 | Displacement of [3H]SQ-29548 from human prostanoid TP receptor expressed in QBI-... | 21863799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21863799 | 10.1021/jm200980u | Thromboxane A2 receptor | 4 |
Data from ChEMBL 36 via Core Engine