Linker Information
General Information of This Linker
| Linker ID |
LIN00029
|
|||||
|---|---|---|---|---|---|---|
| Linker Name |
Cystine
|
|||||
| Linker Type |
GSH concentration-sensitive linkers
|
|||||
| Structure |
|
|||||
| Formula |
C6H12N2O4S2
|
|||||
| #Ro5 Violations (Lipinski): 1 | Molecular Weight (mw) | 240.3 | ||||
| Lipid-water partition coefficient (xlogp) | -6.3 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 4 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 8 | |||||
| Rotatable Bond Count (rotbonds) | 7 | |||||
| Chemble ID | ||||||
| Chemble ID | ||||||
| PubChem CID | ||||||
| Canonical smiles |
C(C(C(=O)O)N)SSCC(C(=O)O)N
|
|||||
| InChI |
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
|
|||||
| InChIKey |
LEVWYRKDKASIDU-IMJSIDKUSA-N
|
|||||
| IUPAC Name |
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid
|
|||||
Each Peptide-drug Conjugate Related to This Linker
Full Information of The Activity Data of The PDC(s) Related to This Linker
Cq-S-S-TP10 [Investigative]
Obtained from the Model Organism Data
| Experiment 1 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Malaria | ||||
| Efficacy Data | Half Maximal Inhibitory Concentration (IC50) |
1.0 ± 0.3 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