(Q21098972)

Setipiprant (English)

14 October 2016

chemical formula

C₂₄H₁₉FN₂O₃

1 reference

Setipiprant (English)

14 October 2016

canonical SMILES

C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

1 reference

Setipiprant (English)

physically interacts with

14 October 2016

Prostaglandin D2 receptor 2

subject has role

antagonist

1 reference

Open Targets Platform

https://platform.opentargets.org/drug/CHEMBL2386081

14 August 2023

reference URL

Commons category

Setipiprant

0 references

Identifiers

InChI

InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)

1 reference

Setipiprant (English)

14 October 2016

1 reference

Global Substance Registration System

Setipiprant (English)

14 October 2016

2 references

UNII

BHF20LA2GM

setipiprant (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=866460-33-5

9 April 2021

1 reference

Setipiprant (English)

14 October 2016

2 references

Setipiprant (English)

14 October 2016

ChEBI ID

177430

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)

1 reference

SETIPIPRANT (English)

14 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

DTXCID80158230

0 references

Guide to Pharmacology Ligand ID

10180

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB12562

1 reference

Human Metabolome Database ID

HMDB0258261

2 references

based on heuristic

inferred from InChIKey

UNII

BHF20LA2GM

2 references

Global Substance Registration System

UNII

BHF20LA2GM

setipiprant (English)

14 October 2016