asapiprant   Click here for help

GtoPdb Ligand ID: 11951

Synonyms: BGE-175 | BGE175 | example II-74 [US8153793B2] | S-555739
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Asapiprant (S-555739) is a DP1 receptor antagonist that was developed for anti-inflammatory potential [2]. It has been used in an animal model of COVID-19 to indicate that targeting the PLA2G2D-PGD2/DP1 receptor pathway provides some benefit in protecting aged mice from lethal virus infection [3]. A clinical study in a select subset of human COVID-19 patients is underway (as of April 2022).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 130.79
Molecular weight 501.16
XLogP 2.92
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)COc1cc(ccc1c1ncco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC(C)C
Isomeric SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc(c(cc1)c1ncco1)OCC(=O)O
InChI InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
9781 asapiprant
Synonyms Click here for help
BGE-175 | BGE175 | example II-74 [US8153793B2] | S-555739
Database Links Click here for help
Specialist databases
GPCRdb Ligand asapiprant
Other databases
ChEMBL Ligand CHEMBL3545043
GtoPdb PubChem SID 461663506
PubChem CID 59232326
Search Google for chemical match using the InChIKey ZMZNWNTZRWXTJU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZMZNWNTZRWXTJU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZMZNWNTZRWXTJU-UHFFFAOYSA-N