Compound Detail
CHEMBL435883
BERAPROST SODIUM 🧪 Phase III
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🧪 Phase III
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL435883 |
| Name | BERAPROST SODIUM |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | YTCZZXIRLARSET-VJRSQJMHSA-M |
| Parent Compound | CHEMBL1207745 |
| Active Moiety | CHEMBL1207745 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
7
Known Names
3
Indications
Molecular Properties
398.5
MW (Da)
3.29
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Hypertension, Pulmonary Kidney Diseases Essential Hypertension
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613652 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.24 | 5.18 | 5700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 17.0 | nM | 7.77 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 17764960 |
| Plasma | IC50 | = | 17.0 | nM | 7.77 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 17920266 |
| Homo sapiens | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of U-46,619 (4 uM) induced platelet aggregation in human platelet ric... | 16078846 |
| Homo sapiens | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of ADP (5 uM) induced platelet aggregation in human platelet rich pla... | 16078846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078846 | 10.1021/jm050194z | Homo sapiens | 2 |
| 17764960 | 10.1016/j.bmc.2007.08.010 | Plasma | 1 |
| 17920266 | 10.1016/j.bmcl.2007.09.066 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine