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Record - 1 of 3   [TOP]
Compound IDNVIC0032
Compound Structure
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Inhibitor9167
PubChem ID   4293368
Drug Bank ID
ChemSpider ID3499535
SMILESC1ccc2c(c1)cccc2NC(=O)c3c4c(sc3NC(=O)C(F)(F)F)CCCC4
Molecular Weight418.432 g/mol
Target
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeNiV-LUC2AM
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count6
XLogP6.53
PSA86.44
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
PubMed ID [Source Literature]24680955
CuratorKanikatuteja@gmail.com

                  
Record - 2 of 3   [TOP]
Compound IDNVIC0032
Compound Structure
DOWNLOAD:
Inhibitor9167
PubChem ID   4293368
Drug Bank ID
ChemSpider ID3499535
SMILESC1ccc2c(c1)cccc2NC(=O)c3c4c(sc3NC(=O)C(F)(F)F)CCCC5
Molecular Weight418.432 g/mol
Target
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeNiV-GFP2AM
IC50 (in nM)
EC50 (in nM)400
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count6
XLogP6.53
PSA86.44
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
PubMed ID [Source Literature]24680955
CuratorKanikatuteja@gmail.com

                  
Record - 3 of 3   [TOP]
Compound IDNVIC0032
Compound Structure
DOWNLOAD:
Inhibitor9167
PubChem ID   4293368
Drug Bank ID
ChemSpider ID3499535
SMILESC1ccc2c(c1)cccc2NC(=O)c3c4c(sc3NC(=O)C(F)(F)F)CCCC6
Molecular Weight418.432 g/mol
Target
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeNiV-MY-99
IC50 (in nM)
EC50 (in nM)72.3
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count6
XLogP6.53
PSA86.44
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5100748/
PubMed ID [Source Literature]24680955
CuratorKanikatuteja@gmail.com