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Compound Detail

CHEMBL3989915

DIFELIKEFALIN
💊 Approved Drug
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💊 Approved Drug
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989915
Name DIFELIKEFALIN
Phase Approved
Structure Type MOL
InChI Key FWMNVWWHGCHHJJ-SKKKGAJSSA-N
Therapeutic ✓ Yes

Known Names

4-PIPERIDINECARBOXYLIC ACID, N1-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-4-AMINO- CR-845 CR845 Difelicefalina Difelikefalin Difelikefaline FE-202845 FE202845 MR-13A9 MR13A9
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
10
Known Names
4
Indications
1
Mechanisms

Molecular Properties

679.9
MW (Da)
0.83
ALogP
8
HBA
7
HBD
223.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Protein
First Approval 2021
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Natural Product First in Class
USAN Stem -kef-
USAN Year 2016

Extended Properties

Molecular Formula C36H53N7O6
MW 679.86
Aromatic Rings 2
Heavy Atoms 49
NP-Likeness 0.09

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Kappa opioid receptor agonist AGONIST Kappa-type opioid receptor ✓ ✓

Indications

Osteoarthritis Pain Pruritus Renal Insufficiency, Chronic

ATC Classification

V03AX04
difelikefalin
Level 1: VARIOUS
Level 2: ALL OTHER THERAPEUTIC PRODUCTS

Activity Summary

EC50 3 meas. best 10.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kappa-type opioid receptor
CHEMBL4329
 EC50 10.32 10.32 0.0 1
Kappa-type opioid receptor
CHEMBL237
 EC50 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kappa-type opioid receptor EC50 = 0.048 nM 10.32 Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET)-Based cAMP Immuno... -
Kappa-type opioid receptor EC50 = 0.16 nM 9.8 Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET)-Based cAMP Immuno... -

Literature References

PubMed DOI Target Context # Activities
33214823 10.1021/acsmedchemlett.0c00287 Kappa-type opioid receptor 1
33214823 10.1021/acsmedchemlett.0c00287 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine