Details of the Drug

General Information of Drug (ID: DMZDF0B)

Drug Name
Aceclofenac
Synonyms Airtal; Barracan; Biofenac; Bristaflam; Falcol; Gerbin; Preservex; YT-919
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 354.2
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1.25-3 h [2]
Clearance
The clearance of drug is 5 L/h [3]
Elimination
The main route of elimination is via the urine where the elimination accounts for 70-80% of clearance of the drug [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 4 hours [2]
Metabolism
The drug is metabolized via plasma [4]
Vd
The volume of distribution (Vd) of drug is 25 L [2]
Chemical Identifiers
Formula
C16H13Cl2NO4
IUPAC Name
2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
Canonical SMILES
C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)
InChIKey
MNIPYSSQXLZQLJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71771
ChEBI ID
CHEBI:31159
CAS Number
89796-99-6
DrugBank ID
DB06736
TTD ID
D0T8VY
INTEDE ID
DR0033
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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 [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2C9 (CYP2C9)
Main DME 		DE5IED8 CP2C9_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Growth/differentiation factor 15 (GDF15) OTWQN50N GDF15_HUMAN Gene/Protein Processing [7]
L-selectin (SELL) OT6RAJZR LYAM1_HUMAN Gene/Protein Processing [8]
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 UK Medicines and Healthcare products Regulatory Agency: ACECLOFENAC 100MG TABLETS product information
3 Ghosh S, Barik BB: A Comparative Study of the Pharmacokinetics of Conventional and Sustained-release Tablet Formulations of Aceclofenac in Healthy Male Subjects Tropical Journal of Pharmaceutical Research. 2010 September 1;9(4):395-399.
4 Mahajan MK, Uttamsingh V, Daniels JS, Gan LS, LeDuc BW, Williams DA: In vitro metabolism of oxymetazoline: evidence for bioactivation to a reactive metabolite. Drug Metab Dispos. 2011 Apr;39(4):693-702. doi: 10.1124/dmd.110.036004. Epub 2010 Dec 21.
5 Aceclofenac spares cyclooxygenase 1 as a result of limited but sustained biotransformation to diclofenac. Clin Pharmacol Ther. 2003 Sep;74(3):222-35.
6 Metabolism of aceclofenac in humans. Drug Metab Dispos. 1996 Aug;24(8):834-41.
7 Cyclooxygenase inhibitors induce apoptosis in oral cavity cancer cells by increased expression of nonsteroidal anti-inflammatory drug-activated gene. Biochem Biophys Res Commun. 2004 Dec 24;325(4):1298-303. doi: 10.1016/j.bbrc.2004.10.176.
8 Structure-function relationship and role of tumor necrosis factor-alpha-converting enzyme in the down-regulation of L-selectin by non-steroidal anti-inflammatory drugs. J Biol Chem. 2002 Oct 11;277(41):38212-21. doi: 10.1074/jbc.M205142200. Epub 2002 Jul 29.