ILOPROST

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC B01AC11
UNII JED5K35YGL

Structure

InChI Key HIFJCPQKFCZDDL-ACWOEMLNSA-N
Smiles CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
InChI
InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O4
Molecular Weight 360.49
AlogP 3.54
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 77.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST ISBN DailyMed
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
0.69-147 8.4-27 - 1-7.3 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - 1.7 -
Homo sapiens
2.4-147 0.2-47.7 - 3.2-7.3 -
Macaca mulatta
- - - 1.6 -
Rattus norvegicus
0.69 11.4 - 1 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 63916
ChEMBL CHEMBL494
DrugBank DB01088
DrugCentral 1422
FDA SRS JED5K35YGL
Guide to Pharmacology 1895
KEGG D02721
PubChem 5311181
SureChEMBL SCHEMBL6083382
ZINC ZINC13587680
CONTENTS