× 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 IDNVIC0012
Compound Structure
DOWNLOAD:
InhibitorGentianose
SMILESC(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O
PubChem ID 117678
Drug Bank ID\N
ChemSpider ID105162
TargetNon-Structural Protein - C
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of Non-Structural Protein - C
Molecular Weight (in g/mol)504.44
H-bond Acceptor16
H-bond Donor11
No. of Rotatable Bonds8
LogP-7.57
Topological Polar Surface Area (Å)268.68
PUBMED ID37222609
Referencehttps://pubmed.ncbi.nlm.nih.gov/37222609/
Curator Email IDbhupender.thakur855@gmail.com