CYCLOHEXIMIDE

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Synonyms
UNII 98600C0908
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key YPHMISFOHDHNIV-FSZOTQKASA-N
Smiles C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2
InChI
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO4
Molecular Weight 281.35
AlogP 0.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 83.47
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Growth inhibition of Homo sapiens (human) HepG2 cells at 10 uM after 48 hr by SRB assay Homo sapiens 5.0 %
Growth inhibition of Homo sapiens (human) HCT15 cells at 10 uM after 48 hr by SRB assay Homo sapiens 3.0 %
Growth inhibition of Homo sapiens (human) T47D cells at 10 uM after 48 hr by SRB assay Homo sapiens 9.0 %
Growth inhibition of Homo sapiens (human) PA1 cells at 10 uM after 48 hr by SRB assay Homo sapiens 51.0 %
Growth inhibition of Homo sapiens (human) NCI-H522 cells at 10 uM after 48 hr by SRB assay Homo sapiens 13.0 %
Cytotoxicity against Homo sapiens (human) HepG2 cells assessed as growth inhibition at 1 x 10'-5 M after 48 hr by SRB assay Homo sapiens 14.0 %
Cytotoxicity against Homo sapiens (human) HCT15 cells assessed as growth inhibition at 1 x 10'-5 M after 48 hr by SRB assay Homo sapiens 5.0 %
Cytotoxicity against Homo sapiens (human) T47D cells assessed as growth inhibition at 1 x 10'-5 M after 48 hr by SRB assay Homo sapiens 30.0 %
Cytotoxicity against Homo sapiens (human) PA1 cells assessed as growth inhibition at 1 x 10'-5 M after 48 hr by SRB assay Homo sapiens 82.0 %
Cytotoxicity against Homo sapiens (human) NCI-H522 cells assessed as growth inhibition at 1 x 10'-5 M after 48 hr by SRB assay Homo sapiens 20.0 %
Inhibition of cell growth in Zygosaccharomyces bailii at 50 ug/mL Zygosaccharomyces bailii None
Antifungal activity against Aspergillus niger at 100 ug/ml after 96 hr Aspergillus niger 35.29 %
Antifungal activity against Aspergillus niger at 10 ug/ml after 96 hr Aspergillus niger 11.76 %
Antifungal activity against Aspergillus niger at 50 ug/ml after 96 hr Aspergillus niger 23.52 %
Antifungal activity against Aspergillus flavus at 100 ug/ml after 96 hr Aspergillus flavus 78.94 %
Antifungal activity against Aspergillus flavus at 50 ug/ml after 96 hr Aspergillus flavus 63.15 %
Antifungal activity against Aspergillus flavus at 10 ug/ml after 96 hr Aspergillus flavus 15.78 %
Antifungal activity against Aspergillus niger MTCC 282 after 24 to 48 hr by two-fold serial dilution method Aspergillus niger 6.25 ug.mL-1
Antifungal activity against Fusarium oxysporum ATCC 16417 after 24 to 48 hr by two-fold serial dilution method Fusarium oxysporum 3.13 ug.mL-1
Antibacterial activity against Pseudomonas phaseolicola GSPB 2828 after 24 to 48 hr by two-fold serial dilution method Pseudomonas None
Antibacterial activity against Pseudomonas fluorescens S 97 after 24 to 48 hr by two-fold serial dilution method Pseudomonas fluorescens None
Antibacterial activity against Streptococcus pyogenes ATCC 19615 after 24 to 48 hr by two-fold serial dilution method Streptococcus pyogenes None
Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 to 48 hr by two-fold serial dilution method Staphylococcus aureus None
Antifungal activity against Aspergillus niger MTCC 282 at 100 ug/ml after 48 hr by agar diffusion method Aspergillus niger 42.0 mm
Antifungal activity against Fusarium oxysporum ATCC 16417 at 100 ug/ml after 48 hr by agar diffusion method Fusarium oxysporum 43.0 mm
Antibacterial activity against Pseudomonas fluorescens S 97 at 100 ug/ml after 24 hr by agar diffusion method Pseudomonas fluorescens None
Antibacterial activity against Streptococcus pyogenes ATCC 19615 at 100 ug/ml after 24 hr by agar diffusion method Streptococcus pyogenes None
Antibacterial activity against Pseudomonas phaseolicola GSPB 2828 at 100 ug/ml after 24 hr by agar diffusion method Pseudomonas None
Antibacterial activity against Staphylococcus aureus ATCC 25923 at 100 ug/ml after 24 hr by agar diffusion method Staphylococcus aureus None
Antimicrobial activity against Aspergillus fumigatus assessed as growth inhibition after 24 to 48 hr by two-fold serial dilution method Aspergillus fumigatus 3125.0 ug.mL-1
Antimicrobial activity against Fusarium oxysporum assessed as growth inhibition after 24 to 48 hr by two-fold serial dilution method Fusarium oxysporum 3125.0 ug.mL-1
Antimicrobial activity against Aspergillus fumigatus assessed as diameter of growth inhibition zone at 1 mg/ml after 48 days by agar diffusion method Aspergillus fumigatus 42.0 mm
Antimicrobial activity against Fusarium oxysporum assessed as diameter of growth inhibition zone at 1 mg/ml after 48 days by agar diffusion method Fusarium oxysporum 43.0 mm
Antifungal activity against Fusarium oxysporum f. sp. melongenae assessed as inhibition of mycelial growth Fusarium oxysporum f. sp. melongenae 10.6 ug.mL-1
Antifungal activity against Fusarium oxysporum f. sp. cucumerinum assessed as inhibition of mycelial growth Fusarium oxysporum f. sp. cucumerinum 4.9 ug.mL-1
Antifungal activity against Rhizoctonia solani assessed as inhibition of mycelial growth Rhizoctonia solani 0.3 ug.mL-1
Antifungal activity against Dothiorella gregaria assessed as inhibition of mycelial growth Dothiorella gregaria 0.9 ug.mL-1
Antifungal activity against Fusarium graminearum assessed as inhibition of mycelial growth Fusarium graminearum 3.3 ug.mL-1
Antifungal activity against Valsa mali assessed as inhibition of mycelial growth Valsa mali 0.3 ug.mL-1
Antifungal activity against Magnaporthe grisea assessed as inhibition of mycelial growth Magnaporthe grisea 2.3 ug.mL-1
Antifungal activity against Microbotryum violaceum by agar diffusion test Microbotryum violaceum 50.0 mm
Antialgal activity against 'Chlorella' fusca by agar diffusion test Chlorella fusca 35.0 mm
Antimicrobial activity against Escherichia coli by agar diffusion test Escherichia coli 0.0 mm
Antimicrobial activity against Bacillus megaterium by agar diffusion test Bacillus megaterium 0.0 mm
Growth inhibition of Homo sapiens (human) PA1 cells at 10 uM after 48 hr by SRB assay Homo sapiens 34.0 %
Growth inhibition of Homo sapiens (human) HepG2 cells at 10 uM after 48 hr by SRB assay Homo sapiens 26.0 %
Growth inhibition of Homo sapiens (human) HCT15 cells at 10 uM after 48 hr by SRB assay Homo sapiens 16.0 %
Growth inhibition of Homo sapiens (human) T47D cells at 10 uM after 48 hr by SRB assay Homo sapiens 11.0 %
Growth inhibition of Homo sapiens (human) NCI-H522 cells at 10 uM after 48 hr by SRB assay Homo sapiens 15.0 %
Cytotoxicity against Homo sapiens (human) HepG2 cells assessed as growth inhibition at 10 uM after 48 hr by SRB assay Homo sapiens 15.0 %
Cytotoxicity against Homo sapiens (human) HCT15 cells assessed as growth inhibition at 10 uM after 48 hr by SRB assay Homo sapiens 12.0 %
Cytotoxicity against Homo sapiens (human) PA1 cells assessed as growth inhibition at 10 uM after 48 hr by SRB assay Homo sapiens 32.0 %
Cytotoxicity against Homo sapiens (human) NCI-H522 cells assessed as growth inhibition at 10 uM after 48 hr by SRB assay Homo sapiens 13.0 %
Cytotoxicity against Homo sapiens (human) T47D cells assessed as growth inhibition at 10 uM after 48 hr by SRB assay Homo sapiens 9.0 %

Cross References

Resources Reference
ChEMBL CHEMBL123292
FDA SRS 98600C0908
PDB 3HE
PubChem 6197
SureChEMBL SCHEMBL26617
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