Compound Detail
CHEMBL3893909
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Basic Information
| ChEMBL ID | CHEMBL3893909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFHKGRGPUVJPKC-QAQDUYKDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.63
ALogP
6
HBA
1
HBD
89.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.57
IC50 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
| Platelet CHEMBL4296519 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | EC50 | = | 2.7 | nM | 8.57 | Agonist activity at human recombinant prostacyclin receptor expressed in CHO-K1 ... | - |
| Platelet | IC50 | = | 10.5 | nM | 7.98 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma pre... | - |
Data from ChEMBL 36 via Core Engine