× Home About Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with COCONUT compounds Similarity with ZINC Lead-like compounds Priority Inhibitors Cluster Visualization Submission Useful Resources Downloads Contact Us
logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0134
Compound Structure
DOWNLOAD:
InhibitorC1
SMILESCCOC1=CC=C(C=C1)C1N(CCC2=C1NC1C=CC=CC21)C(=O)C1CCC1
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
Target\N
Assay TypeHTS Assay
Assay DescriptionVirus Titre Reduction assay
Assay SourceChemDiv (San Diego, CA)
Cell TypeHEK 293T, BSR-T7/5, Vero
IC50 (nM)1830.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)374.47
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bonds5
LogP4.78
Topological Polar Surface Area (Å)45.33
PUBMED ID34077807
Referencehttps://pubmed.ncbi.nlm.nih.gov/34077807/
Curator Email IDbhupender.thakur855@gmail.com