PF-4191834

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Synonyms
Status
Molecule Category Free-form
UNII YX55DXP4T1
EPA CompTox DTXSID70145573

Structure

InChI Key DVNQWYLVSNPCJZ-UHFFFAOYSA-N
Smiles Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1
InChI
InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23N3O2S
Molecular Weight 393.51
AlogP 3.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 70.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Arachidonate 5-lipoxygenase inhibitor INHIBITOR PubMed

Target Conservation

Protein: Arachidonate 5-lipoxygenase
Description: Polyunsaturated fatty acid 5-lipoxygenase
Organism : Homo sapiens
P09917 ENSG00000012779

Cross References

Resources Reference
ChEMBL CHEMBL4297416
DrugBank DB11645
FDA SRS YX55DXP4T1
Guide to Pharmacology 9054
PubChem 24986635
SureChEMBL SCHEMBL332973
CONTENTS