VORAPAXAR SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: Salt
UNII: IN66038E6C
Parent Compound: VORAPAXAR

Structure
InChI Key NQRYCIGCIAWEIC-CKLVGUEFSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 1 D054058 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
22.16
General disorders and administration site conditions
11.35
Gastrointestinal disorders
10.81
Nervous system disorders
8.11
Respiratory, thoracic and mediastinal disorders
7.3
Cardiac disorders
6.49
Skin and subcutaneous tissue disorders
4.86
Investigations
4.59
Injury, poisoning and procedural complications
4.05
Musculoskeletal and connective tissue disorders
4.05
Surgical and medical procedures
4.05
Eye disorders
3.78

Cross References

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