× Home Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources NVIK VirtualBox Contact Us
Developed & Hosted by:
CSIR-Institute of Microbial Technology, Sector-39A, Chandigarh, India (160036).
*Best view resolution at 1920x1080 px on 24" screen

logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0022
Compound Structure
DOWNLOAD:
Inhibitor5'-Deoxy-5'-(Methylthio)-Tubercidin
PubChem ID 188350
Drug Bank IDDB02933
ChemSpider ID 163705
SMILESCSCC1C(C(C(O1)N2C=CC3=C(N=CN=C32)N)O)O
Molecular Weight (in g/mol)296.345
TargetMethylthioadenosine phosphorylase
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeExperimental
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count3
XLogP0.05
PSA131.72
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
PubMed ID [Source Literature] 28904190
Curatorkanikatuteja@gmail.com