Compound Detail
CHEMBL10829
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Basic Information
| ChEMBL ID | CHEMBL10829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIQINFVUCTVKNT-HMZBKAONSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
7.31
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | IC50 | = | 2100.0 | nM | 5.68 | Displacement of [3H]iloprost from Prostaglandin I2 receptor of human platelets | - |
| Homo sapiens | IC50 | = | 2400.0 | nM | 5.62 | Inhibitory activity against ADP-induced platelet aggregation using human platele... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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