ESUBERAPROST

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Synonyms
Status
Molecule Category Free-form
UNII 1JSN1I7582
EPA CompTox DTXSID00240666

Structure

InChI Key CTPOHARTNNSRSR-NOQAJONNSA-N
Smiles CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O
InChI
InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30O5
Molecular Weight 398.5
AlogP 3.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 86.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST Other

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3137314
FDA SRS 1JSN1I7582
Guide to Pharmacology 8314
PubChem 10501053
SureChEMBL SCHEMBL4754472
ZINC ZINC000013671573
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