PF-4191834

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YX55DXP4T1

Structure
InChI Key DVNQWYLVSNPCJZ-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297416
DrugBank DB11645
EPA CompTox DTXSID70145573
FDA SRS YX55DXP4T1
Guide to Pharmacology 9054
PubChem 24986635
SureChEMBL SCHEMBL332973
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