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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL238804
CHEMBL238804
Compound Name SELEXIPAG
ChEMBL Synonyms ACT-293987 | NS-304 | SELEXIPAG
Max Phase 4 (Approved)
Trade Names
Molecular Formula C26H32N4O4S

Additional synonyms for CHEMBL238804 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)c1cnc(c2ccccc2)c(n1)c3ccccc3
Standard InChI InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-3 ...
Download InChI
Standard InChI Key QXWZQTURMXZVHJ-UHFFFAOYSA-N

Sources

  • Manually Added Drugs
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL238804

Molecule Features

CHEMBL238804 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Prostanoid IP receptor agonist Prostanoid IP receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
THROMBOSISD013927HP:0004419RECURRENT THROMBOPHLEBITIS4ATC
FAMILIAL PRIMARY PULMONARY HYPERTENSIOND065627Orphanet:275766IDIOPATHIC PULMONARY ARTERIAL HYPERTENSION4DailyMed
FAMILIAL PRIMARY PULMONARY HYPERTENSIOND065627Orphanet:422IDIOPATHIC AND/OR FAMILIAL PULMONARY ARTERIAL HYPERTENSION4DailyMed
HYPERTENSION, PULMONARYD006976EFO:0001361PULMONARY HYPERTENSION3ClinicalTrials

Clinical Data

ClinicalTrials.gov SELEXIPAG
The Cochrane Collaboration SELEXIPAG

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
496.6 496.2144 4 12 109.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.82 2.4 4.3 2.31 3 35 0.38

Structural Alerts

There are 4 structural alerts for CHEMBL238804. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B01 - ANTITHROMBOTIC AGENTS
B01A - ANTITHROMBOTIC AGENTS
B01AC - Platelet aggregation inhibitors excl. heparin
B01AC27 - selexipag

ChemSpider ChemSpider:QXWZQTURMXZVHJ-UHFFFAOYSA-N
DailyMed selexipag

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL238804



ChEBI 90844
DrugBank DB11362
DrugCentral 5077
eMolecules 25041249
FDA SRS 5EXC0E384L
Guide to Pharmacology 7552
IBM Patent System 581DC7085EAE25DB60E06A90E3EE69CB
MolPort MolPort-009-019-323
Nikkaji J2.120.977E
PubChem 9913767
PubChem: Thomson Pharma 14884195
SureChEMBL SCHEMBL674122
ZINC ZINC000003990451

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/QXWZQTURMXZVHJ-UHFFFAOYSA-N spacer
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