ESUBERAPROST

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1JSN1I7582

Structure
InChI Key CTPOHARTNNSRSR-NOQAJONNSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Prostanoid IP receptor agonist Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 3 D006976 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137314
EPA CompTox DTXSID00240666
FDA SRS 1JSN1I7582
Guide to Pharmacology 8314
PubChem 10501053
SureChEMBL SCHEMBL4754472
ZINC ZINC000013671573
CONTENTS