Structure

InChI Key PAJMKGZZBBTTOY-ZFORQUDYSA-N
Smiles CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
InChI
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H34O5
Molecular Weight 390.52
AlogP 3.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 86.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST PubMed

Target Conservation

Protein: Prostanoid IP receptor

Description: Prostacyclin receptor

Organism : Homo sapiens

P43119 ENSG00000160013

Related Entries

Cross References

Resources Reference
ChEBI 50861
ChEMBL CHEMBL1237119
DrugBank DB00374
DrugCentral 2720
FDA SRS RUM6K67ESG
Human Metabolome Database HMDB0014518
Guide to Pharmacology 5820
PubChem 6918140
SureChEMBL SCHEMBL4349618
ZINC ZINC000003800475