Compound Detail
CHEMBL11480
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Basic Information
| ChEMBL ID | CHEMBL11480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXPPDPACPBMCMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.95
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | IC50 | = | 2000.0 | nM | 5.7 | Compound was tested for its binding affinity against Prostaglandin I2 receptor u... | - |
| Homo sapiens | IC50 | = | 8600.0 | nM | 5.07 | Compound was tested for its inhibitory activity against 4 uM ADP-induced platele... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00170-X | Prostacyclin receptor | 1 |
| - | 10.1016/0960-894X(95)00170-X | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine