Peptide-drug Conjugate Information

General Information of This Peptide-drug Conjugate (PDC)
PDC ID
PDC_00270
PDC Name
PDC-5d
PDC Status
Investigative
Indication
In total 1 Indication(s)
Breast cancer
Structure
Peptide Name
[K4,F7,K22,P34]-NPY
  Peptide Info 
Receptor Name
Neuropeptide Y receptor type 1 (NPY1R)
  Receptor Info 
Drug Name
Methotrexate
  Drug Info 
Therapeutic Target
Reduced folate transporter (SLC19A1)
  Target Info 
Linker Name
GFLG
  Linker Info 
Formula
C276H387N77O71
#Ro5 Violations (Lipinski): 5 Molecular Weight 5919.6
Lipid-water partition coefficient (xlogp) -13.98446
Hydrogen Bond Donor Count (hbonddonor) 74
Hydrogen Bond Acceptor Count (hbondacc) 81
Rotatable Bond Count (rotbonds) 182
Full List of Activity Data of This Peptide-drug Conjugate
Revealed Based on the Cell Line Data
Click To Hide/Show 4 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Breast cancer
Efficacy Data Half Maximal Effective Concentration (EC50)
8.9 nM
In Vitro Model Normal COS-7 cell CVCL_0224
Experiment 2 Reporting the Activity Data of This PDC [1]
Indication Breast cancer
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
2.0 (5.7 ± 0.1) μM
In Vitro Model Breast adenocarcinoma MDA-MB-468 cell CVCL_0419
Experiment 3 Reporting the Activity Data of This PDC [1]
Indication Breast cancer
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
4.2 (5.4 ± 0.1) μM
In Vitro Model Breast adenocarcinoma MDA-MB-231 cell CVCL_0062
Experiment 4 Reporting the Activity Data of This PDC [1]
Indication Breast cancer
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
5.0 (5.3 ± 0.1) μM
In Vitro Model Invasive breast carcinoma T-47D cell CVCL_0553
References
Ref 1 Double Methotrexate-Modified Neuropeptide Y Analogues Express Increased Toxicity and Overcome Drug Resistance in Breast Cancer Cells. J Med Chem. 2016 Apr 14;59(7):3409-17. doi: 10.1021/acs.jmedchem.6b00043. Epub 2016 Apr 6.