Peptide-drug Conjugate Information

General Information of This Peptide-drug Conjugate (PDC)
PDC ID
PDC_00269
PDC Name
PDC-5c
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
Amide bond
  Linker Info 
Formula
C238H335N69O63
#Ro5 Violations (Lipinski): 5 Molecular Weight 5170.718
Lipid-water partition coefficient (xlogp) -12.96606
Hydrogen Bond Donor Count (hbonddonor) 66
Hydrogen Bond Acceptor Count (hbondacc) 73
Rotatable Bond Count (rotbonds) 158
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)
2.8 (8.5 ± 0.1) 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)
3.8 (5.4 ± 0.1) μM
In Vitro Model Breast adenocarcinoma MDA-MB-231 cell CVCL_0062
Experiment 3 Reporting the Activity Data of This PDC [1]
Indication Breast cancer
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
4.0 (5.4 ± 0.1) μM
In Vitro Model Breast adenocarcinoma MDA-MB-468 cell CVCL_0419
Experiment 4 Reporting the Activity Data of This PDC [1]
Indication Breast cancer
Efficacy Data Half Maximal Inhibitory Concentration (IC50) > 10 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.