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None

AlkaPlorer ID: AK323948

Synonym: None

IUPAC Name: (2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

Structure

SMILES: NC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14-,15+,16-,17-,18+/m1/s1

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InChIKey: SBUJHOSQTJFQJX-KSACQAOKSA-N

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Reference

PubChem CID: 11274101

NPASS: NPC485811

Properties Information

Molecule Weight: 484.50300000000016

TPSA？: 282.61000000000007

MolLogP？: -7.2914000000000065

Number of H-Donors: 11

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 32.0 ug.mL-1 10.1021/jm1000437
Bacillus subtilis Bacillus subtilis Kd 210000.0 nM 10.1016/j.bmcl.2005.02.007
Enterobacter cloacae Enterobacter cloacae MIC 4.0 ug.mL-1 10.1021/jm00190a015
Enterobacter cloacae Enterobacter cloacae MIC 125.0 ug.mL-1 10.1021/jm00190a015
Enterococcus faecalis Enterococcus faecalis MIC 64.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Escherichia coli Escherichia coli Activity 10.0 % 10.1038/nchembio.274
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1128/aac.01444-09
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1021/jm00190a015
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1021/jm1000437
Escherichia coli Escherichia coli MIC 12.0 ug.mL-1 10.1128/aac.01034-06
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1021/jm1000437
Escherichia coli Escherichia coli MIC 25.0 ug.mL-1 10.1039/c2md00253a
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1021/jm1000437
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1021/jm800997s
Escherichia coli Escherichia coli MIC 125.0 ug.mL-1 10.1021/jm00190a015
Escherichia coli Escherichia coli MIC 125.0 ug.mL-1 10.1021/jm800997s
Escherichia coli Escherichia coli MIC 128.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Escherichia coli Escherichia coli MIC 256.0 ug.mL-1 10.1128/aac.01444-09
Escherichia coli Escherichia coli MIC 768.0 ug.mL-1 10.1128/aac.01034-06
Fusarium graminearum Fusarium graminearum MIC 500.0 ug.mL-1 10.1039/c4md00078a
Klebsiella pneumoniae Klebsiella pneumoniae MIC 0.25 ug.mL-1 10.1021/jm00190a015
Klebsiella pneumoniae Klebsiella pneumoniae MIC 64.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Neisseria meningitidis Neisseria meningitidis MIC 64.0 ug.mL-1 10.1021/np500158q
Providencia rettgeri Providencia rettgeri MIC 0.5 ug.mL-1 10.1021/jm00190a015
Providencia rettgeri Providencia rettgeri MIC 8.0 ug.mL-1 10.1021/jm00190a015
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 1.21 None 10.1128/aac.01071-07
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 32.0 ug.mL-1 10.1021/jm00190a015
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 63.0 ug.mL-1 10.1021/jm00190a015
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 100.0 ug.mL-1 10.1039/c2md00253a
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 125.0 ug.mL-1 10.1021/jm00190a015
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 128.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 256.0 ug.mL-1 10.1128/aac.01034-06
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 512.0 ug.mL-1 10.1021/jm1000437
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 1600.0 ug.mL-1 10.1128/aac.01071-07
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 1920.0 ug.mL-1 10.1128/aac.01071-07
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Aminoglycoside 3'-phosphotransferase type IIb Kcat/Km 360000.0 /M/s 10.1128/aac.01034-06
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Aminoglycoside 3'-phosphotransferase type IIb Km 3100.0 nM 10.1128/aac.01034-06
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1021/jm00190a015
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1021/jm1000437
Staphylococcus aureus Staphylococcus aureus MIC 125.0 ug.mL-1 10.1021/jm00190a015
Staphylococcus aureus Staphylococcus aureus MIC 128.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Staphylococcus aureus Staphylococcus aureus MIC 512.0 ug.mL-1 10.1021/jm1000437
Staphylococcus aureus Staphylococcus aureus MIC nan None 10.1021/np500158q
Staphylococcus epidermidis Staphylococcus epidermidis MIC 1.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Staphylococcus epidermidis Staphylococcus epidermidis MIC 2.0 ug.mL-1 10.1021/jm1000437
Staphylococcus epidermidis Staphylococcus epidermidis MIC 8.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Staphylococcus epidermidis Staphylococcus epidermidis MIC 128.0 ug.mL-1 10.1016/j.bmc.2010.11.065
Staphylococcus epidermidis Staphylococcus epidermidis MIC 128.0 ug.mL-1 10.1021/jm1000437
Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC 512.0 ug.mL-1 10.1021/jm1000437
Streptococcus pneumoniae Streptococcus pneumoniae MIC 1.0 ug.mL-1 10.1021/jm1000437
Streptococcus pneumoniae Streptococcus pneumoniae MIC 8.0 ug.mL-1 10.1021/jm1000437
Streptococcus pneumoniae Streptococcus pneumoniae MIC nan None 10.1021/np500158q
None ADMET C50 0.95 uM 10.1021/jm00385a015
None ADMET K2 0.058 min-1 10.1016/S0960-894X(97)00339-9
None ADMET K2 nan None 10.1016/S0960-894X(97)00339-9
None ADMET Kill at C50 93.0 % 10.1021/jm00385a015
None ADMET LD90 0.85 uM 10.1021/jm00385a015
None ADMET Uptake at C50 3.5 None 10.1021/jm00385a015
None NON-PROTEIN TARGET MIC 128.0 ug.mL-1 10.1016/j.bmc.2010.11.065
None Nucleic Acid Activity 0.27 /s 10.1038/nchembio.274
None Nucleic Acid Activity 8.0 % 10.1038/nchembio.274
None Nucleic Acid Activity 25.0 % 10.1038/nchembio.274
None Nucleic Acid Activity 69.6 % 10.1038/nchembio.274
None Nucleic Acid Activity nan None 10.1016/j.bmcl.2011.12.103
None Nucleic Acid Activity nan None 10.1038/nchembio.274
None Nucleic Acid DNA peak exclusion 67.3 % 10.1016/s0960-894x(01)00115-9
None Nucleic Acid EC50 300.0 nM 10.1038/nchembio.274
None Nucleic Acid Frel 0.21 None 10.1016/j.bmcl.2005.02.007
None Nucleic Acid Kd 100.0 nM 10.1021/jm9000659
None Nucleic Acid Kd 141000.0 nM 10.1016/j.bmcl.2011.12.103
None Nucleic Acid MIC 100000.0 nM 10.1021/jm970372r
None Nucleic Acid Tm 55.0 degrees C 10.1016/j.bmcl.2011.12.103
None Nucleic Acid Tm 64.0 degrees C 10.1016/j.bmcl.2011.12.103
None Nucleic Acid Tm 70.0 degrees C 10.1016/j.bmcl.2011.12.103
None Nucleic Acid tRNA peak exclusion 56.0 % 10.1016/s0960-894x(01)00115-9
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Ribosomal RNA A-site Kd 18000.0 nM 10.1016/s0960-894x(00)00615-6
None Unchecked Denaturation rate constant 0.092 min-1 10.1016/s0960-894x(03)00085-4
None Unchecked IC50 24.0 nM 10.1016/s0960-894x(03)00085-4
None Unchecked IC50 17800.0 nM 10.1016/s0960-894x(03)00085-4
None Unchecked Inhibition 61.0 % 10.1016/s0960-894x(03)00085-4
None Unchecked Inhibition 92.0 % 10.1016/s0960-894x(03)00085-4
None Unchecked Kcat 3.48 /s 10.1021/jm800997s
None Unchecked Kcat 13.8 /s 10.1128/aac.01444-09
None Unchecked Kcat 20.5 /s 10.1128/aac.01444-09
None Unchecked Kcat 45.1 /s 10.1128/aac.01444-09
None Unchecked Kcat/Km 1.4 10'7/M/s 10.1128/aac.01444-09
None Unchecked Kcat/Km 2.0 10'7/M/s 10.1128/aac.01444-09
None Unchecked Kcat/Km 2.2 10'7/M/s 10.1128/aac.01444-09
None Unchecked Kcat/Km 42.4 10'4/M/s 10.1021/jm800997s
None Unchecked Km 1000.0 nM 10.1128/aac.01444-09
None Unchecked Km 2100.0 nM 10.1128/aac.01444-09
None Unchecked Km 8200.0 nM 10.1021/jm800997s
None Unchecked Vmax 6.96 umol/min/mg 10.1021/jm800997s

Metabolism Information