Details of the Drug

General Information of Drug (ID: DMKZEIB)

Drug Name
Felbinac
Synonyms Felbinac); Felbinac, Takeda Chemical Industries Ltd; Seltouch, Takeda
Indication
Disease Entry ICD 11 Status REF
Arthritis FA20 Approved [1]
ATC Code
M02AA08: Felbinac
M02AA: Antiinflammatory preparations, non-steroids for topical use
M02A: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M: MUSCULO-SKELETAL SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 212.24
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H12O2
IUPAC Name
2-(4-phenylphenyl)acetic acid
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey
QRZAKQDHEVVFRX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3332
ChEBI ID
CHEMBL413965
CAS Number
5728-52-9
UNII
94WNJ5U8L7
DrugBank ID
DB07477
TTD ID
D0Y7EM
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase (COX) TTK0943 PGH1_HUMAN ; PGH2_HUMAN Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
UDP-glucuronosyltransferase 1A10 OTOTZVEY UD110_HUMAN Biotransformations [3]
UDP-glucuronosyltransferase 1A3 OTUEOER3 UD13_HUMAN Biotransformations [3]
UDP-glucuronosyltransferase 1A7 OTY4JJ32 UD17_HUMAN Biotransformations [3]
UDP-glucuronosyltransferase 1A8 OTTMABBG UD18_HUMAN Biotransformations [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 A review of the effects of fenbufen and a metabolite, biphenylacetic acid, on platelet biochemistry and function. Arzneimittelforschung. 1980;30(4A):702-7.
3 Gastrointestinally distributed UDP-glucuronosyltransferase 1A10, which metabolizes estrogens and nonsteroidal anti-inflammatory drugs, depends upon phosphorylation. J Biol Chem. 2004 Jul 2;279(27):28320-9. doi: 10.1074/jbc.M401396200. Epub 2004 Apr 26.