SETIPIPRANT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: BHF20LA2GM

Structure
InChI Key IHAXLPDVOWLUOS-UHFFFAOYSA-N
Smile O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H19FN2O3
Molecular Weight 402.43
AlogP 4.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 62.54
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST G protein-coupled receptor 44 antagonist PubMed Other
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
- 6-340 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Alopecia 2 D000505 ClinicalTrials
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2386081
DrugBank DB12562
EPA CompTox DTXSID00235739
FDA SRS BHF20LA2GM
Guide to Pharmacology 10180
SureChEMBL SCHEMBL3089969
ZINC ZINC000091291806
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