OC000459

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 04XB9TB8OL

Structure
InChI Key FATGTHLOZSXOBC-UHFFFAOYSA-N
Smile Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O
InChI
InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H17FN2O2
Molecular Weight 348.38
AlogP 4.31
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.12
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST G protein-coupled receptor 44 antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 550 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
24 6-130 - 13 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Eosinophilic Esophagitis 2 D057765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL560993
DrugBank DB11900
EPA CompTox DTXSID00234343
FDA SRS 04XB9TB8OL
Guide to Pharmacology 9277
SureChEMBL SCHEMBL1782956
ZINC ZINC000043120334
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