Payload Information

General Information of This Payload
Payload ID
PAY0LNJXB
Name
Alendronate
Synonyms
Alendronate
   Click to Show/Hide
Target(s) Farnesyl pyrophosphate synthase (FDPS)
 Target Info 
Structure
Formula
C4H13NO6P2
Isosmiles
NCCCC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C4H13NO6P2/c5-3-1-2-4(12(6,7)8)13(9,10)11/h4H,1-3,5H2,(H2,6,7,8)(H2,9,10,11)
InChIKey
FABBYIJYNBEZOO-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
233.097
Polar area
141.08
Complexity
13
xlogp Value
-0.5932
Heavy Count
13
Rot Bonds
5
Hbond acc
3
Hbond Donor
5
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
90% Maximal Inhibitory Concentration (IC50) 100.7 uM
MCF-7 cells
Invasive breast carcinoma
CVCL_0031 
[1]
Half Maximal Inhibitory Concentration (IC50) 12.7 uM
OVCAR-3 cells
Ovarian serous adenocarcinoma
CVCL_0465 
[1]
Half Maximal Inhibitory Concentration (IC50) 16.6 uM
OVCA429 cells
Ovarian carcinoma
CVCL_3936 
[1]
Half Maximal Inhibitory Concentration (IC50) 178.9 uM
MC3T3 cells
Normal
CVCL_0D74 
[2]
Half Maximal Inhibitory Concentration (IC50) 32.3 uM
MDA-MB-231 cells
Breast adenocarcinoma
CVCL_0062 
[1]
90% Maximal Inhibitory Concentration (IC50) 38.2 uM
OVCA429 cells
Ovarian carcinoma
CVCL_3936 
[1]
90% Maximal Inhibitory Concentration (IC50) 39.8 uM
OVCAR-3 cells
Ovarian serous adenocarcinoma
CVCL_0465 
[1]
Half Maximal Inhibitory Concentration (IC50) 55.9 uM
MCF-7 cells
Invasive breast carcinoma
CVCL_0031 
[1]
Half Maximal Inhibitory Concentration (IC50) 64.8 uM
MC3T3 cells
Normal
CVCL_0D74 
[2]
90% Maximal Inhibitory Concentration (IC50) 69.7 uM
MDA-MB-231 cells
Breast adenocarcinoma
CVCL_0062 
[1]
Half Maximal Inhibitory Concentration (IC50) 9.6 uM
Osteogenic-induced human mesenchymal stem cells
Normal
Undisclosed [2]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 Bisphosphonate-Based Conjugates and Derivatives as Potential Therapeutic Agents in Osteoporosis, Bone Cancer and Metastatic Bone Cancer. Int J Mol Sci. 2021 Jun 26;22(13):6869.
Ref 2 Pharmacologically Inactive Bisphosphonates as an Alternative Strategy for Targeting Osteoclasts: In Vivo Assessment of 5-Fluorodeoxyuridine-Alendronate in a Preclinical Model of Breast Cancer Bone Metastases. J Bone Miner Res. 2017 Mar;32(3):536-548.

If you find any error in data or bug in web service, please kindly report it to Dr. Shen et al.