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Record - 1 of 2   [TOP]
Compound IDNVIC0011
Compound Structure
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InhibitorTanshinone I
SMILESCC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
PubChem ID 114917
Drug Bank ID\N
ChemSpider ID\N
Targetattachment glycoprotein (Niv-G)
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 attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)276.28
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bonds0
LogP4.10
Topological Polar Surface Area (Å)47.28
PUBMED ID38048723
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10746367/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0030
Compound Structure
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InhibitorRosmariquinone
SMILESCC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O
PubChem ID 160142
Drug Bank ID\N
ChemSpider ID\N
TargetRNA-dependent RNA polymerase (RdRp)
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 RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)282.38
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bonds1
LogP4.11
Topological Polar Surface Area (Å)34.14
PUBMED ID38048723
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10746367/
Curator Email IDbhupender.thakur855@gmail.com