Details of the Drug

General Information of Drug (ID: DMHZBEO)

• Drug Name: Difelikefalin
• Synonyms: UNII-NA1U919MRO; NA1U919MRO; MR13A9; 1024828-77-0; FE202845; Difelikefalin [INN]; Difelikefalin [USAN:INN]; SEQ ID NO: 2; GTPL9044; CHEMBL3989915; SCHEMBL10316464; BDBM235785; DB11938; FE-202845; US9359399, 2; D-Phe-D-Phe-D-Leu-D-Lys-[gamma-(4-N-piperidinyl)amino carboxylic acid]; 4-Piperidinecarboylic acid, 4-amino-1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-; 4-Piperidinecarboxylic acid, N1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-amino-; 4-Piperidinecarboxylic acid, N1-(D

Indication

Disease Entry	ICD 11	Status	REF
Pruritus	EC90	Approved	[1]

• Affected Organisms: Humans and other mammals
• ATC Code:
  V03AX04: Difelikefalin
  V03AX: Other therapeutic products
  V03A: ALL OTHER THERAPEUTIC PRODUCTS
  V03: ALL OTHER THERAPEUTIC PRODUCTS
  V: VARIOUS
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 679.8
  Logarithm of the Partition Coefficient (xlogp); -0.6
  Rotatable Bond Count (rotbonds); 18
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 9
• ADMET Property:
  Bioavailability: The bioavailability of drug is 100% [2]
  Elimination: Approximately 11% of the dose was excreted in the urine, 59% in the feces, and 20% in the dialysate [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 23 - 31 hours [2]
  Metabolism: The drug is not metabolised [2]
  Vd: The volume of distribution (Vd) of drug is 0.238 L/kg [2]
• Chemical Identifiers:
  Formula: C36H53N7O6
  IUPAC Name: 4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
  Canonical SMILES: CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N
  InChI: InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1
  InChIKey: FWMNVWWHGCHHJJ-SKKKGAJSSA-N
• Cross-matching ID:
  PubChem CID: 24794466
  ChEBI ID: CHEMBL3989915
  CAS Number: 1024828-77-0
  UNII: NA1U919MRO
  DrugBank ID: DB11938
  TTD ID: D0K3OK
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Agonist	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Pruritus
• ICD Disease Classification: EC90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor kappa (OPRK1)	DTT	OPRK1	9.17E-01	0.04	0.1

References

• [1] FDA Approved Drug Products from FDA Official Website. 2021. Application Number: 214916.
• [2] FDA Approved Drug Products: Korsuva (difelikefalin) for intravenous injection
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)