Selexipag (CED0007207)

Record Information

Version

1.0

Creation Date

2026-04-05 11:55:15 UTC

Update Date

2026-08-22 06:41:08 UTC

Accession Number

CHEM100761

Identification

Common Name

Selexipag

Class

Small Molecule

Description

Selexipag is an organic compound with the formula C26H32N4O4S and an average molecular weight of 496.63 g/mol. Selexipag belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound is utilized within healthcare, pharmaceuticals, and veterinary products as an antithrombotic agent, with recorded exposure routes including oral and intravenous administration. Biologically, selexipag functions as an agonist (PMC11483533). Its recorded protein target is the prostacyclin receptor (PTGIR), for which it acts as an agonist.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₃₂N₄O₄S

Average Molecular Mass

496.630 g/mol

Monoisotopic Mass

496.214 g/mol

CAS Registry Number

475086-01-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)

InChI Key

QXWZQTURMXZVHJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

agonist

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00di-3839400000-2eb65b88e977abb86a9c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1012900000-29e78452e3cb7e83a8da	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f6x-2159800000-e4b64de5447253947bce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000x-3392000000-1eafb7bac95704f59c6e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-2120900000-0c8008875d1ebea5f398	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002r-9270400000-3ef06dd7c3ebbff64c32	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0570-9030000000-fb2aa4f782cc6432f411	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2702.0	Log mg/kg	[1500:4800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
273	Antithrombotic agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	58.6205
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	4.35956
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	7.31783
Click to view 3D structure	Prostacyclin receptor	P43253	Rattus norvegicus	Predicted (SEA)	0.934191
Click to view 3D structure	Leucine--tRNA ligase	Q2FXH2	Staphylococcus aureus (strain NCTC 8325)	Predicted (SEA)	30.5169
Click to view 3D structure	Sterol O-acyltransferase 1	O70536	Rattus norvegicus	Predicted (SEA)	11.6774
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	802.081
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	516.452
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	525.716
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	634.16
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	777.169
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	751.401
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	595.313
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	3998.57
Click to view 3D structure	Matrix metalloproteinase-16	P51512	Humans	Predicted (SEA)	140.206
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	554.987
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	4157.93
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	869.187
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	753.658
Click to view 3D structure	Neuromedin-K receptor	P29371	Humans	Predicted (SEA)	556.155
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	3436.19
Click to view 3D structure	Proto-oncogene Mas	P04201	Humans	Predicted (SEA)	29.427
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	852.215
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	4380.65
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	2630.76