× 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 IDNVIC0003
Compound Structure
DOWNLOAD:
InhibitorR1479
PubChem ID 457388
Drug Bank ID
ChemSpider ID 402579
SMILESC1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
Molecular Weight (in g/mol)284.232
TargetRNA dependent RNA Polymerase
Assay TypeReporter Virus assay
Assay DescriptionDose-response data fitted to a 4-parameter logistic curve
Assay SourceCarbosynth US LLC, San Diego, CA, USA
Cell TypeHeLa
OutcomeInhibition of transcription in NiV-Luc2AM
IC50 (in nM)
EC50 (in nM)5680
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-2.1
PSA140.97
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5648002/
PubMed ID [Source Literature] 28629988
Curatorpriyankapaul008@gmail.com