Details of the Drug

General Information of Drug (ID: DMYK490)

• Drug Name: Nepafenac
• Synonyms: Nevanac; AHR-9434; AL-6515

Indication

Disease Entry	ICD 11	Status	REF
Osteoarthritis	FA00-FA05	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 254.28
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  Metabolism: The drug is metabolized via the intraocular hydrolases []
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.16854 micromolar/kg/day [2]
• Chemical Identifiers:
  Formula: C15H14N2O2
  IUPAC Name: 2-(2-amino-3-benzoylphenyl)acetamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N
  InChI: InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)
  InChIKey: QEFAQIPZVLVERP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 151075
  ChEBI ID: CHEBI:75922
  CAS Number: 78281-72-8
  DrugBank ID: DB06802
  TTD ID: D02IHW

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	Inhibitor	[3]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Nepafenac (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Inotersen	DMJ93CT	Moderate	Increased risk of bleeding by the combination of Nepafenac and Inotersen.	Amyloidosis [5D00]	[4]
Regorafenib	DMHSY1I	Moderate	Increased risk of bleeding by the combination of Nepafenac and Regorafenib.	Colorectal cancer [2B91]	[4]
Ardeparin	DMYRX8B	Moderate	Increased risk of bleeding by the combination of Nepafenac and Ardeparin.	Coronary thrombosis [BA43]	[4]
Tazemetostat	DMWP1BH	Moderate	Increased risk of bleeding by the combination of Nepafenac and Tazemetostat.	Follicular lymphoma [2A80]	[4]
Avapritinib	DMK2GZX	Moderate	Increased risk of bleeding by the combination of Nepafenac and Avapritinib.	Gastrointestinal stromal tumour [2B5B]	[4]
Acalabrutinib	DM7GCVW	Moderate	Increased risk of bleeding by the combination of Nepafenac and Acalabrutinib.	Mature B-cell lymphoma [2A85]	[4]
Ibrutinib	DMHZCPO	Moderate	Increased risk of bleeding by the combination of Nepafenac and Ibrutinib.	Mature B-cell lymphoma [2A85]	[4]
Ponatinib	DMYGJQO	Moderate	Increased risk of bleeding by the combination of Nepafenac and Ponatinib.	Mature B-cell lymphoma [2A85]	[4]
Ruxolitinib	DM7Q98D	Moderate	Increased risk of bleeding by the combination of Nepafenac and Ruxolitinib.	Myeloproliferative neoplasm [2A20]	[4]
Vorapaxar	DMA16BR	Moderate	Increased risk of bleeding by the combination of Nepafenac and Vorapaxar.	Myocardial infarction [BA41-BA43]	[4]
Plicamycin	DM7C8YV	Moderate	Increased risk of bleeding by the combination of Nepafenac and Plicamycin.	Testicular cancer [2C80]	[4]
Brilinta	DMBR01X	Moderate	Increased risk of bleeding by the combination of Nepafenac and Brilinta.	Thrombosis [DB61-GB90]	[4]
Cabozantinib	DMIYDT4	Moderate	Increased risk of bleeding by the combination of Nepafenac and Cabozantinib.	Thyroid cancer [2D10]	[4]
Betrixaban	DM2C4RF	Moderate	Increased risk of bleeding by the combination of Nepafenac and Betrixaban.	Venous thromboembolism [BD72]	[4]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7564).
• [2] Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
• [3] Topical nepafenac inhibits ocular neovascularization. Invest Ophthalmol Vis Sci. 2003 Jan;44(1):409-15.
• [4] Product Information. Acular (ketorolac). Allergan Inc, Irvine, CA.