Structure

InChI Key NPEFREDMMVQEPL-RWPARATISA-N
Smiles CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
InChI
InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m110/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C60H123N15O21
Molecular Weight 1390.73
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Inhibition of purified telomerase of Euplotes aediculatus at 50 uM Euplotes aediculatus 0.0 %
Inhibition of telomerase after assembly using recombinant Tetraymena thermophilia TR and TERT at 50 uM Tetrahymena thermophila 0.0 %
Inhibition of telomerase before assembly using recombinant Tetraymena thermophilia TR and TERT at 50 uM Tetrahymena thermophila 0.0 %
Inhibition of human telomerase after assembly using recombinant hTR and hTERT at 50 uM Homo sapiens 19.0 %
Inhibition of human telomerase before assembly using recombinant hTR and hTERT at 50 uM Homo sapiens 64.0 %
Zone of inhibition of Escherichia coli after treatment with 10 ug of the compound Escherichia coli 25.0 mm
Zone of inhibition of Staphylococcus aureus after treatment with 10 ug of the compound Staphylococcus aureus 31.0 mm
Zone of inhibition of Pseudomonas aeruginosa after treatment with 10 ug of the compound Pseudomonas aeruginosa 0.0 mm
Inhibition of protein synthesis in Escherichia coli S30 extracts by coupled transcription-translation assay Escherichia coli 30.0 nM
Antibacterial activity against Staphylococcus aureus by broth microdilution technique Staphylococcus aureus 4.46 ug.mL-1
Antibacterial activity against Streptococcus faecalis by broth microdilution technique Enterococcus faecalis 0.62 ug.mL-1
Antibacterial activity against Klebsiella pneumoniae by broth microdilution technique Klebsiella pneumoniae 0.34 ug.mL-1
Antibacterial activity against Escherichia coli by broth microdilution technique Escherichia coli 0.11 ug.mL-1
Antibacterial activity against Pseudomonas aeruginosa by broth microdilution technique Pseudomonas aeruginosa 24.64 ug.mL-1
Antibacterial activity against Staphylococcus aureus at 50 to 100 uM after 24 hrs by well diffusion method Staphylococcus aureus 34.0 %
Antibacterial activity against Pseudomonas aeruginosa at 50 to 100 uM after 24 hrs by well diffusion method Pseudomonas aeruginosa 35.0 %
Antibacterial activity against Escherichia coli at 50 to 100 uM after 24 hrs by well diffusion method Escherichia coli 31.0 %
Antibacterial activity against Salmonella typhi at 50 to 100 uM after 24 hrs by well diffusion method Salmonella enterica subsp. enterica serovar Typhi 30.0 %
Antibacterial activity against Staphylococcus aureus at 50 to 100 uM after 24 hrs by well diffusion method Staphylococcus aureus 34.0 %
Antibacterial activity against Escherichia coli at 50 to 100 uM after 24 hrs by well diffusion method Escherichia coli 31.0 %
Antibacterial activity against Pseudomonas aeruginosa at 50 to 100 uM after 24 hrs by well diffusion method Pseudomonas aeruginosa 35.0 %
Antibacterial activity against Salmonella typhi at 50 to 100 uM after 24 hrs by well diffusion method Salmonella enterica subsp. enterica serovar Typhi 30.0 %
Inhibition of protein translation in Escherichia coli by coupled transcription/translation assay Escherichia coli 20.0 nM
Antibacterial activity against Escherichia coli ATCC 9637 after 24 hrs by NCCLS method Escherichia coli 0.11 ug.mL-1
Antibacterial activity against Pseudomonas aeruginosa ATCC BAA-427 after 24 hrs by NCCLS method Pseudomonas aeruginosa 24.64 ug.mL-1
Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs by NCCLS method Staphylococcus aureus 4.46 ug.mL-1
Antibacterial activity against Klebsiella pneumoniae ATCC 27736 after 24 hrs by NCCLS method Klebsiella pneumoniae 0.34 ug.mL-1
Inhibition of ribosomal activity in Escherichia coli strain B assessed as inhibition of translation after 60 mins by coupled transcription/translation assay Escherichia coli B 28.0 nM
Antibacterial activity against Salmonella enterica serovars virchow isolate 101591 at pH 5.7 by bioluminescence assay Salmonella enterica subsp. enterica serovar Virchow 85.0 ug.mL-1
Antibacterial activity against Salmonella enterica serovars virchow isolate 101591 at pH 7.0 by bioluminescence assay Salmonella enterica subsp. enterica serovar Virchow 2.0 ug.mL-1
Antibacterial activity against Salmonella enterica serovars Typhimurium ATCC 14028 at pH 7.0 by bioluminescence assay Salmonella enterica subsp. enterica serovar Typhimurium 1.0 ug.mL-1
Antibacterial activity against Salmonella enterica serovars Typhimurium ATCC 14028 at pH 5.7 by bioluminescence assay Salmonella enterica subsp. enterica serovar Typhimurium 34.0 ug.mL-1
Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs by spectrophotometric analysis Staphylococcus aureus 1.7 ug.mL-1
Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 700699 after 24 hrs by spectrophotometric analysis Staphylococcus aureus 50.0 ug.mL-1
Antibacterial activity against Staphylococcus aureus ATCC 29213 after 24 hrs by spectrophotometric analysis Staphylococcus aureus 50.0 ug.mL-1
Antibacterial activity against gentamicin-resistant Staphylococcus aureus ATCC 33592 after 24 hrs by spectrophotometric analysis Staphylococcus aureus 50.0 ug.mL-1
Antibacterial activity against Escherichia coli after 24 hrs by spectrophotometric analysis Escherichia coli 1.7 ug.mL-1
Antibacterial activity against Klebsiella pneumoniae after 24 hrs by spectrophotometric analysis Klebsiella pneumoniae 1.7 ug.mL-1
Antibacterial activity against Staphylococcus aureus ATCC 25923 assessed as growth inhibition after 24 hrs by microdilution method Staphylococcus aureus 10.0 nM
Inhibition of pre-miR-372 (unknown origin) cleavage assessed as reduction of oncogenic microRNAs biogenesis at 200 uM by measuring fluorescence every minute for 5 hrs using 5'-FAM,3'-dabcyl-pre-miRNA beacons by FRET assay in presence of recombinant Dicer Not specified 10.0 %
Inhibition of pre-miR-373 (unknown origin) cleavage assessed as reduction of oncogenic microRNAs biogenesis at 200 uM by measuring fluorescence every minute for 5 hrs using 5'-FAM,3'-dabcyl-pre-miRNA beacons by FRET assay in presence of recombinant Dicer Not specified 10.0 %
Inhibition of pre-miR-17 (unknown origin) cleavage assessed as reduction of oncogenic microRNAs biogenesis at 200 uM by measuring fluorescence every minute for 5 hrs using 5'-FAM,3'-dabcyl-pre-miRNA beacons by FRET assay in presence of recombinant Dicer Not specified 10.0 %
Inhibition of pre-miR-21 (unknown origin) cleavage assessed as reduction of oncogenic microRNAs biogenesis at 200 uM by measuring fluorescence every minute for 5 hrs using 5'-FAM,3'-dabcyl-pre-miRNA beacons by FRET assay in presence of recombinant Dicer Not specified 10.0 %
Inhibition of transcription-translation process in Escherichia coli Escherichia coli 400.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL3039597
FDA SRS T6Z9V48IKG
Guide to Pharmacology 2427