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Record - 1 of 2   [TOP]
Compound IDNVIC0064
Compound Structure
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InhibitorIodixanol
SMILESCC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
PubChem ID 3724
Drug Bank IDDB01249
ChemSpider ID3593
TargetEphrin-B2
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)1550.18
H-bond Acceptor21
H-bond Donor13
No. of Rotatable Bonds28
LogP-0.02
Topological Polar Surface Area (Å)339.09
PUBMED ID38355980
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10866979/
Curator Email IDbhupender.thakur855@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0064
Compound Structure
DOWNLOAD:
InhibitorIodixanol
SMILESCC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
PubChem ID 3724
Drug Bank IDDB01249
ChemSpider ID3593
Targetmatrix protein (NiV-M)
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 matrix protein (NiV-M)
Molecular Weight (in g/mol)1550.18
H-bond Acceptor21
H-bond Donor13
No. of Rotatable Bonds28
LogP-0.02
Topological Polar Surface Area (Å)339.09
PUBMED ID38355980
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10866979/
Curator Email IDbhupender.thakur855@gmail.com