VORAPAXAR SULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII IN66038E6C
Parent Compound: VORAPAXAR

Structure

InChI Key NQRYCIGCIAWEIC-CKLVGUEFSA-N
Smiles CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O
InChI
InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H35FN2O8S
Molecular Weight 590.67
AlogP 5.63
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.52
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Proteinase-activated receptor 1 antagonist ANTAGONIST FDA

Target Conservation

Protein: Proteinase-activated receptor 1
Description: Proteinase-activated receptor 1
Organism : Homo sapiens
P25116 ENSG00000181104

Cross References

Resources Reference
ChEBI 83314
ChEMBL CHEMBL2107386
FDA SRS IN66038E6C
Guide to Pharmacology 4047
KEGG D09765
PDB VPX
PubChem 10077129
ZINC ZINC03925861
CONTENTS