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Record - 1 of 4   [TOP]
Compound IDNVIC0011
Compound Structure
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Inhibitor(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-y
PubChem ID 1784648
Drug Bank ID
ChemSpider ID 1402075
SMILESCC1CN(CC(O1)C)C2=NC(=O)C(=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)S2
Molecular Weight (in g/mol)484.581
TargetNiV-G glycoprotein
Assay TypeVirtual screening by Auto dock Vina
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type
OutcomeInhibit the NiV-G
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bond Count4
XLogP6.63
PSA97.64
Reference(s)https://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
PubMed ID [Source Literature] 
Curatornishisharmacool14@gmail.com

                  
Record - 2 of 4   [TOP]
Compound IDNVIC0012
Compound Structure
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Inhibitor1-acetyl-17-[3-(trifluoromethyl)phenyl]-17-azapent
PubChem ID 1037027
Drug Bank ID
ChemSpider ID 891395
SMILESCC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC(=C6)C(F)(F)F
Molecular Weight (in g/mol)461.439
TargetNiV-G glycoprotein
Assay TypeVirtual screening by Auto dock Vina
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type
OutcomeInhibit the NiV-G
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bond Count3
XLogP7.66
PSA54.45
Reference(s)https://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
PubMed ID [Source Literature] 
Curatornishisharmacool14@gmail.com

                  
Record - 3 of 4   [TOP]
Compound IDNVIC0016
Compound Structure
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Inhibitor1-N,4-N-bis(3-phenylphenyl)piperazine-1,4-dicarbox
PubChem ID 235811
Drug Bank ID
ChemSpider ID 205764
SMILESC1CN(CCN1C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CC=C5
Molecular Weight (in g/mol)476.6
TargetNiV-G glycoprotein
Assay TypeVirtual screening by Auto dock Vina
Assay DescriptionADME/Tox filter server
Assay SourceNCI diversity set-II
Cell Type
OutcomeInhibit the NiV-G
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor2
No. of Rotatable Bond Count8
XLogP10.1
PSA64.68
Reference(s)https://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
PubMed ID [Source Literature] 
Curatornishisharmacool14@gmail.com

                  
Record - 4 of 4   [TOP]
Compound IDNVIC0017
Compound Structure
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Inhibitor9-dioxo-8-azaspiro[4.4]nonan-8-yl)-3-methylphenyl]
PubChem ID 328761
Drug Bank ID
ChemSpider ID 291201
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)C)N5C(=O)CC6(C5=O)CCCC6
Molecular Weight (in g/mol)484.6
TargetNiV-G glycoprotein
Assay TypeVirtual screening by Auto dock Vina
Assay DescriptionADME/Tox filter server
Assay SourceNCI diversity set-II
Cell Type
OutcomeInhibit the NiV-G
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bond Count3
XLogP5.4
PSA74.76
Reference(s)https://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
PubMed ID [Source Literature] 
Curatornishisharmacool14@gmail.com