RALINEPAG

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Synonyms
Status
Molecule Category Free-form
UNII CQY12ZJN6E

Structure

InChI Key NPDKXVKJRHPDQT-IYARVYRRSA-N
Smiles O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26ClNO5
Molecular Weight 431.92
AlogP 5.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 76.07
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
8.5-850 38 - 3-678 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - 256 -
Homo sapiens
8.5-850 38 - 3-678 -
Macaca mulatta
- - - 1.2 -
Rattus norvegicus
530 - - 76 -

Target Conservation

Protein: Prostanoid IP receptor
Description: Prostacyclin receptor
Organism : Homo sapiens
P43119 ENSG00000160013

Cross References

Resources Reference
ChEMBL CHEMBL3301604
DrugBank DB12462
FDA SRS CQY12ZJN6E
PubChem 44219292
SureChEMBL SCHEMBL1118504
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