Compound Detail
CHEMBL11088
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Basic Information
| ChEMBL ID | CHEMBL11088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPHSCWQRCJOWIB-ZTKZIYFRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.83
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.64 | 6.64 | 230.0 | 2 |
| Prostacyclin receptor CHEMBL1995 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 230.0 | nM | 6.64 | PGI-2 agonistic activity by measuring inhibition of 4 uM ADP-induced human plate... | - |
| Homo sapiens | IC50 | = | 230.0 | nM | 6.64 | Inhibitory activity against ADP-induced platelet aggregation using human platele... | - |
| Prostacyclin receptor | IC50 | = | 380.0 | nM | 6.42 | Displacement of [3H]iloprost from Prostaglandin I2 receptor of human platelets | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00171-O | Homo sapiens | 1 |
| - | 10.1016/0960-894X(95)00171-O | Thromboxane-A synthase | 1 |
| - | 10.1016/0960-894X(95)00168-S | Prostacyclin receptor | 1 |
| - | 10.1016/0960-894X(95)00168-S | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine