Linker Information

General Information of This Linker

Linker ID	LIN00057
Linker Name	6-(4-(amino(carboxy)methyl)-1H-1,2,3-triazol-1-yl)hexanoic acid
Structure
Structure	2D MOL
Formula	C10H16N4O4
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	256.262
	Lipid-water partition coefficient (xlogp)	0.0075
	Hydrogen Bond Donor Count (hbonddonor)	3
	Hydrogen Bond Acceptor Count (hbondacc)	6
	Rotatable Bond Count (rotbonds)	8
Canonical smiles	NC(C(=O)O)c1cn(CCCCCC(=O)O)nn1
InChI	InChI=1S/C10H16N4O4/c11-9(10(17)18)7-6-14(13-12-7)5-3-1-2-4-8(15)16/h6,9H,1-5,11H2,(H,15,16)(H,17,18)
InChIKey	XZNVZPFBCRKMGJ-UHFFFAOYSA-N

Each Peptide-drug Conjugate Related to This Linker

Full Information of The Activity Data of The PDC(s) Related to This Linker

Cq-TR-TP10 [Investigative]

PDC Info

Obtained from the Model Organism Data

Click To Hide/Show 1 Activity Data Related to This Level

Experiment 1 Reporting the Activity Data of This PDC			[1]
Indication	Malaria
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	1.2 ± 0.2 µM
MOA of PDC	The significant increase in the hemolytic activity of TP10 upon conjugation to the 4-aminoquinoline suggests that drug cargo prevents an otherwise active CPP carrier from exerting the desired cell penetrating/antiplasmodial action safely, as it produces conjugates that exert membranolytic activity.
In Vivo Model	Plasmodium falciparum 3D7.

References

Ref 1	Coupling the Antimalarial Cell Penetrating Peptide TP10 to Classical Antimalarial Drugs Primaquine and Chloroquine Produces Strongly Hemolytic Conjugates. Molecules. 2019 Dec 12;24(24):4559. doi: 10.3390/molecules24244559.