PELUBIPROFEN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1619C79FVJ

Structure
InChI Key AUZUGWXLBGZUPP-GXDHUFHOSA-N
Smile CC(C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1
InChI
InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18O3
Molecular Weight 258.32
AlogP 3.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Dysmenorrhea 3 D004412 ClinicalTrials
Low Back Pain 2 D017116 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 69956-77-0
ChEMBL CHEMBL69308
DrugBank DB12150
EPA CompTox DTXSID2048795
FDA SRS 1619C79FVJ
Guide to Pharmacology 9876
PubChem 5282203
SureChEMBL SCHEMBL188062
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