SELEXIPAG

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B01AC27
UNII: 5EXC0E384L

Structure
InChI Key QXWZQTURMXZVHJ-UHFFFAOYSA-N
Smile CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChI
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32N4O4S
Molecular Weight 496.63
AlogP 3.9
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 101.49
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Prostanoid IP receptor agonist FDA
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
100 62 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 4 D006976 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
14.29
Respiratory, thoracic and mediastinal disorders
11.1
Gastrointestinal disorders
10.93
Nervous system disorders
9.55
Cardiac disorders
9.55
Musculoskeletal and connective tissue disorders
8.84
Vascular disorders
6.74
Investigations
5.0
Metabolism and nutrition disorders
4.06
Infections and infestations
3.82
Psychiatric disorders
2.64
Skin and subcutaneous tissue disorders
2.58
Injury, poisoning and procedural complications
2.43

Cross References

Resources Reference
CAS NUMBER 475086-01-2
ChEBI 90844
ChEMBL CHEMBL238804
DrugBank DB11362
DrugCentral 5077
FDA SRS 5EXC0E384L
Guide to Pharmacology 7552
PubChem 9913767
SureChEMBL SCHEMBL674122
ZINC ZINC000003990451
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