Compound Detail
CHEMBL11211
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Basic Information
| ChEMBL ID | CHEMBL11211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YISFTOPXJMPBQM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.22
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.24 | 7.24 | 57.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | IC50 | = | 10.0 | nM | 8.0 | Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]ilop... | - |
| Homo sapiens | IC50 | = | 57.0 | nM | 7.24 | PGI-2 agonistic activity by measuring inhibition of 4 uM ADP-induced human plate... | - |
| Homo sapiens | IC50 | = | 57.0 | nM | 7.24 | Compound was tested for the inhibition of 4 uM ADP-induced platelet aggregation ... | - |
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)00169-T | Prostacyclin receptor | 1 |
| - | 10.1016/0960-894X(95)00169-T | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine