LAROPIPRANT

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Synonyms
Status
Molecule Category Free-form
UNII G7N11T8O78
EPA CompTox DTXSID60205756

Structure

InChI Key NXFFJDQHYLNEJK-CYBMUJFWSA-N
Smiles CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3
InChI
InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19ClFNO4S
Molecular Weight 435.9
AlogP 4.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 76.37
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid DP receptor antagonist ANTAGONIST PubMed 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
- 0.09-770 0.03-10.9 0.57-892 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.09-770 0.03-10.9 0.57-892 -
Ovis aries
- 1.4 - - 26-99

Target Conservation

Protein: Prostanoid DP receptor
Description: Prostaglandin D2 receptor
Organism : Homo sapiens
Q13258 ENSG00000168229

Cross References

Resources Reference
ChEBI 135942
ChEMBL CHEMBL426559
DrugBank DB11629
DrugCentral 4326
FDA SRS G7N11T8O78
Guide to Pharmacology 3356
PharmGKB PA166129564
PubChem 9867642
SureChEMBL SCHEMBL991107
ZINC ZINC000003961849
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