difelikefalin [2913]



difelikefalin


SMILES 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
InChIKey FWMNVWWHGCHHJJ-SKKKGAJSSA-N
Sequence None

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 18
Log P 0.833
Molecular weight (Da) 679.4
Stereochemistry info unspecified

Database connections

Structure pdb 22ES
Model (Boltz2) κ

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

difelikefalin


Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 2
Phase III 0
Phase IV 2

Database connections

Structure pdb 22ES
Model (Boltz2) κ

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score