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]
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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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

679.8

Logarithm of the Partition Coefficient (xlogp)

-0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
CAS Number: 1024828-77-0
UNII: NA1U919MRO
DrugBank ID: DB11938
TTD ID: D0K3OK

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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)