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name Structure Reference Source Properties Activities Metabolism

N,N'-Bis(3-aminopropyl)-1,4-butanediamine 

AlkaPlorer ID: AK010093

Synonym: Bis(3-aminopropyl)tetramethylenediamine, 1,12-Diamino-4,9-diazadodecane, 1,5,10,14-Tetraazatetradecane, Gerontine, Neuridine, Musculamine, Spermine

IUPAC Name: 3-azaniumylpropyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium

Structure

SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]

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InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4

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InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-R

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Properties Information

Molecule Weight: 206.378

TPSA？: 88.5

MolLogP？: -3.842599999999996

Number of H-Donors: 4

Number of H-Acceptors: 0

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 100000.0 nM None
Bacteria Lipopolysaccharide (LPS) ED50 2.0 uM 10.1021/jm049449j
Bos taurus Amine oxidase, copper containing Fluorescence intensity 124.0 None 10.1016/s0960-894x(98)00086-9
Bos taurus Calf thymus DNA IC50 4300.0 nM 10.1021/jm00112a016
Bos taurus Phosphodiesterase 1 IC50 500000.0 nM 10.1021/jm050018q
Bos taurus Tubulin Equilibrium OD340 0.624 None 10.1021/jm980603+
Bos taurus Tubulin Equilibrium OD340 1.31 None 10.1021/jm980603+
Bos taurus Tubulin Rate 0.055 delta OD340 min-1 10.1021/jm980603+
Bos taurus Tubulin Rate 0.14 delta OD340 min-1 10.1021/jm980603+
Cricetulus griseus CHO IC50 100000.0 nM 10.1016/j.bmc.2008.05.069
Cricetulus griseus CHO-MG IC50 100000.0 nM 10.1021/jm050018q
Drosophila Drosophila Activity nan None 10.1021/acs.jmedchem.1c00419
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.01472-06
Escherichia coli Escherichia coli MIC 1000000.0 nM 10.1128/aac.01472-06
Escherichia coli Escherichia coli MIC 16000000.0 nM 10.1128/aac.01472-06
Escherichia coli Escherichia coli MIC99 512.0 ug ml-1 10.1021/acs.jmedchem.5b01912
Hepacivirus hominis Hepatitis C virus EC50 50000.0 nM 10.1016/j.ejmech.2013.09.055
Homo sapiens Amine oxidase, copper containing FC 0.96 None 10.1016/j.ejmech.2013.07.005
Homo sapiens Amine oxidase, copper containing FC 1.0 None 10.1016/j.ejmech.2013.07.005
Homo sapiens Amyloid-beta A4 protein Inhibition nan % 10.1021/acsmedchemlett.6b00339
Homo sapiens Arachidonate 15-lipoxygenase Potency 7943.3 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 6309.6 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 31622.8 nM None
Homo sapiens Carbonic anhydrase I Ki 231000.0 nM 10.1016/j.bmc.2011.01.016
Homo sapiens Carbonic anhydrase I Ki 231000.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase II Ki 84000.0 nM 10.1016/j.bmc.2011.01.016
Homo sapiens Carbonic anhydrase II Ki 84000.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase III Ki 167000.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase IV Ki 10.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase IX Ki 13300.0 nM 10.1016/j.bmc.2011.01.016
Homo sapiens Carbonic anhydrase IX Ki 13300.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase VA Ki 840.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase VB Ki 830.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase VI Ki 990.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase VII Ki 710.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase XII Ki 27600.0 nM 10.1016/j.bmc.2011.01.016
Homo sapiens Carbonic anhydrase XII Ki 27600.0 nM 10.1021/jm1003667
Homo sapiens Carbonic anhydrase XIV Ki 860.0 nM 10.1021/jm1003667
Homo sapiens Caspase-2 Activity nan None 10.1021/jm701583b
Homo sapiens Caspase-2 EC50 8500.0 nM 10.1021/jm701583b
Homo sapiens Caspase-3 Activity nan None 10.1021/jm701583b
Homo sapiens Coagulation factor XIII IC50 100000.0 nM 10.1016/j.ejmech.2020.112442
Homo sapiens C-X-C chemokine receptor type 4 Inhibition nan % 10.1016/j.bmcl.2013.01.107
Homo sapiens Cytochrome P450 1A2 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 Potency 7943.3 nM None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 3548.1 nM None
Homo sapiens DNA topoisomerase II alpha IC50 1000000.0 nM 10.1016/j.bmcl.2017.09.011
Homo sapiens Dopamine D1 receptor Potency 4610.9 nM None
Homo sapiens DU-145 Activity nan None 10.1021/acs.jmedchem.9b01666
Homo sapiens DU-145 IC50 nan None 10.1016/j.bmc.2008.05.069
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Fibroblast IC50 14600.0 nM 10.1021/acs.jmedchem.1c00419
Homo sapiens Fibroblast IC50 14900.0 nM 10.1021/acs.jmedchem.1c00419
Homo sapiens Fibroblast IC50 356700.0 nM 10.1021/acs.jmedchem.1c00419
Homo sapiens Fibroblast IC50 422100.0 nM 10.1021/acs.jmedchem.1c00419
Homo sapiens Fibroblast IC50 500000.0 nM 10.1021/acs.jmedchem.1c00419
Homo sapiens Glutamate NMDA receptor; GRIN1/GRIN2A Activity nan None 10.1021/jm1000024
Homo sapiens Glutamate NMDA receptor; GRIN1/GRIN2A Inhibition 108.5 % 10.1021/jm1000024
Homo sapiens Glutamate [NMDA] receptor subunit epsilon 2 EC50 125000.0 nM 10.1021/acs.jmedchem.7b01640
Homo sapiens Glutamate [NMDA] receptor subunit epsilon 2 EC50 127000.0 nM 10.1021/acs.jmedchem.7b01640
Homo sapiens HeLa IC50 50000.0 nM 10.1021/jm00112a016
Homo sapiens HeLa IC50 70000.0 nM 10.1021/jm00112a016
Homo sapiens Histone deacetylase 6 Inhibition 1.1 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 3.47 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 12589.3 nM None
Homo sapiens Homo sapiens Level 4.4 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 0.7 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 0.8 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 0.9 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 1.1 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 1.2 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 3.8 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 5.4 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 7.1 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 9.0 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 10.3 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 10.5 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 17.8 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 21.5 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens HT-29 Level 21.7 nM (mg of protein)-1 10.1021/jm00082a013
Homo sapiens Huh-7 CC50 50000.0 nM 10.1016/j.ejmech.2013.09.055
Homo sapiens K562 IC50 nan None 10.1016/j.bmc.2008.05.069
Homo sapiens MCF7 IC50 nan None 10.1016/j.bmc.2008.05.069
Homo sapiens MDA-MB-231 Ki 280.0 nM 10.1021/jm0101040
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Monoamine oxidase A FC 0.77 None 10.1016/j.ejmech.2013.07.005
Homo sapiens Monoamine oxidase A FC 0.86 None 10.1016/j.ejmech.2013.07.005
Homo sapiens Monoamine oxidase B FC 0.76 None 10.1016/j.ejmech.2013.07.005
Homo sapiens Monoamine oxidase B FC 0.98 None 10.1016/j.ejmech.2013.07.005
Homo sapiens Ornithine decarboxylase Inhibition nan % 10.1021/acs.jmedchem.9b01666
Homo sapiens Ornithine decarboxylase antizyme 1 Activity 80.0 % 10.1021/acs.jmedchem.9b01666
Homo sapiens Ornithine decarboxylase antizyme 1 Activity nan None 10.1021/acs.jmedchem.9b01666
Homo sapiens Polyamine oxidase Activity nan None 10.1021/acs.jmedchem.9b01666
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 25118.9 nM None
Homo sapiens Solute carrier family 22 member 4 Activity nan None None
Homo sapiens Spermine oxidase Activity nan None 10.1021/acs.jmedchem.9b01666
Homo sapiens T47D Ki 650.0 nM 10.1016/s0960-894x(99)00262-0
Homo sapiens T47D Ki 920.0 nM 10.1016/s0960-894x(99)00262-0
Homo sapiens T47D Ki 2100.0 nM 10.1016/s0960-894x(03)00668-1
Homo sapiens T47D Ki 2700.0 nM 10.1016/s0960-894x(99)00262-0
Homo sapiens Telomerase reverse transcriptase Inhibition nan % 10.1016/j.ejmech.2019.04.041
Homo sapiens Thrombopoietin Potency 7943.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
Homo sapiens U-251 IC50 nan None 10.1016/j.bmc.2008.05.069
Homo sapiens U-937 Activity nan None 10.1021/jm901063e
Homo sapiens U-937 IC50 nan None 10.1021/jm901063e
Homo sapiens ZR-75-1 Ki 200.0 nM 10.1016/s0960-894x(99)00262-0
Mus musculus Carbonic anhydrase 15 Ki 74000.0 nM 10.1021/jm1003667
Mus musculus Carbonic anhydrase XIII Ki 22600.0 nM 10.1021/jm1003667
Mus musculus L1210 IC50 390.0 nM 10.1016/s0960-894x(98)00086-9
Mus musculus L1210 IC50 54500.0 nM 10.1016/j.bmc.2008.05.069
Mus musculus L1210 Level 1.1 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 1.7 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 3.2 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 7.3 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 9.1 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 13.4 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 16.3 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus L1210 Level 35.6 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus Mus musculus Biodistribution 2.0 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 2.1 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 2.9 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 4.4 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 5.3 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 6.4 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 7.1 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 7.9 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 8.1 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 9.2 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 16.2 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 18.5 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 25.8 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 34.2 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 37.7 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 76.8 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 87.5 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 101.0 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 157.0 ug of B g-1 10.1021/jm980703f
Mus musculus Mus musculus Biodistribution 192.5 ug of B g-1 10.1021/jm980703f
Mus musculus P19 Activity nan None 10.1021/jm901063e
Mus musculus P19 IC50 nan None 10.1021/jm901063e
Mus musculus Spermidine/spermine N(1)-acetyltransferase 1 Activity nan None 10.1021/acs.jmedchem.9b01666
Mus musculus SV3T3 Level 0.3 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 0.4 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 0.8 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 1.0 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 3.3 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 3.5 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 3.8 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 7.1 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 7.7 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 7.8 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 9.3 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 9.5 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 11.5 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 13.5 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 14.3 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 20.6 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 24.5 nM (mg of protein)-1 10.1021/jm00082a013
Mus musculus SV3T3 Level 31.5 nM (mg of protein)-1 10.1021/jm00082a013
Pseudomonas aeruginosa Pseudomonas aeruginosa Activity nan None 10.1128/aac.01472-06
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC99 512.0 ug ml-1 10.1021/acs.jmedchem.5b01912
Rattus norvegicus Glutamate NMDA receptor EC50 5200.0 nM 10.1021/jm00025a006
Rattus norvegicus Glutamate NMDA receptor Emax 100.0 % 10.1021/jm00025a006
Rattus norvegicus Glutamate NMDA receptor IC50 232000.0 nM 10.1021/jm00025a006
Rattus norvegicus Glutamate NMDA receptor; Grin1/Grin2b EC50 100000.0 nM 10.1021/acs.jmedchem.7b00239
Rattus norvegicus Glutamate [NMDA] receptor subunit epsilon 2 EC50 81000.0 nM 10.1021/acs.jmedchem.7b01640
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 891.3 nM None
Rattus norvegicus Rattus norvegicus Activity 78.9 None 10.1021/jm00003a004
Rattus norvegicus Rattus norvegicus Activity 82.0 None 10.1021/jm00003a004
Rattus norvegicus Rattus norvegicus Activity 123.2 None 10.1021/jm00003a004
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.bmc.2015.10.022
Rattus norvegicus Solute carrier family 22 member 1 Activity nan None 10.1074/jbc.271.51.32599
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 354.8 nM None
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity nan None 10.1128/aac.01472-06
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC 2000000.0 nM 10.1128/aac.01472-06
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 19.72 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.15 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus Activity 62.0 min 10.1128/aac.01472-06
Staphylococcus aureus Staphylococcus aureus MIC 4000000.0 nM 10.1128/aac.01472-06
Staphylococcus aureus Staphylococcus aureus MIC99 512.0 ug ml-1 10.1021/acs.jmedchem.5b01912
Trypanosoma brucei 6-phospho-1-fructokinase Potency 37933.0 nM None
None ADMET Activity nan None 10.1021/acs.jmedchem.9b01666
None ADMET pKa1 10.86 None 10.1021/jm960545x
None ADMET pKa2 10.05 None 10.1021/jm960545x
None ADMET pKa3 8.82 None 10.1021/jm960545x
None ADMET pKa4 7.95 None 10.1021/jm960545x
None ADMET tR 40.0 min 10.1021/jm00082a013
None Hairpin ribozyme RNA K obs 0.065 None 10.1016/s0960-894x(01)00608-4
None Hairpin ribozyme RNA K obs 0.073 None 10.1016/s0960-894x(01)00608-4
None NON-PROTEIN TARGET Activity 4.0 % 10.1016/j.bmc.2010.10.012
None NON-PROTEIN TARGET IC50 100000.0 nM 10.1021/jm960787x
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2008.05.069
None No relevant target Activity 4.0 % 10.1016/j.bmc.2015.10.022
None No relevant target Activity nan None 10.1016/j.bmc.2015.10.022
None No relevant target Inhibition nan % 10.1016/j.bmc.2010.10.012
None No relevant target Inhibition nan % 10.1016/j.bmc.2015.10.022
None No relevant target pK1 7.91 None 10.1021/jm950488s
None No relevant target pK1 8.69 None 10.1021/jm950488s
None No relevant target pK2 8.68 None 10.1021/jm950488s
None No relevant target pK2 9.31 None 10.1021/jm950488s
None No relevant target pK3 10.21 None 10.1021/jm950488s
None No relevant target pK3 10.65 None 10.1021/jm950488s
None No relevant target pK4 10.56 None 10.1021/jm950488s
None No relevant target pK4 10.8 None 10.1021/jm950488s
None No relevant target pKa1 10.86 None 10.1021/jm00013a003
None No relevant target pKa2 10.05 None 10.1021/jm00013a003
None No relevant target pKa3 8.82 None 10.1021/jm00013a003
None No relevant target pKa4 7.95 None 10.1021/jm00013a003
None Nucleic Acid CC50 6800.0 nM 10.1021/jm020843w
None Nucleic Acid IC50 2800.0 nM 10.1021/jm00112a016
None Nucleic Acid IC50 3000.0 nM 10.1021/jm980703f
None Nucleic Acid IC50 6000.0 nM 10.1021/jm00112a016
None Nucleic Acid IC50 17000.0 nM 10.1021/jm960787x
None Unchecked Activity 0.47 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 1.05 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 1.44 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 1.72 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 3.2 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 6.27 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 6.34 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 10.32 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 11.28 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 14.4 % 10.1021/jm00112a012
None Unchecked Activity 15.61 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity 25.11 nmol/mg 10.1021/acs.jmedchem.1c00419
None Unchecked Activity nan None 10.1016/j.bmc.2016.11.003
None Unchecked Activity nan None 10.1021/jm701583b
None Unchecked IC50 100000.0 nM 10.1021/jm980703f
None Unchecked IC50 nan None 10.1016/j.bmc.2015.10.022
None Unchecked Inhibition nan % 10.1016/j.bmc.2010.10.012
None Unchecked Inhibition nan % 10.1016/j.ejmech.2019.04.041
None Unchecked Ki 1340.0 nM 10.1021/jm020598g
None Unchecked Ki 3300.0 nM 10.1021/acs.jmedchem.1c00419
None Unchecked Ki 3410.0 nM 10.1021/acs.jmedchem.1c00419
None Unchecked Km 2000.0 nM 10.1016/s0960-894x(01)00659-x
None Unchecked Log K 5.0 None 10.1016/s0960-894x(99)00189-4
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 0.14 None 10.1021/acs.jmedchem.1c00419
None Unchecked Ratio 0.21 None 10.1021/acs.jmedchem.1c00419
None Unchecked Ratio 0.25 None 10.1021/acs.jmedchem.1c00419
None Unchecked Ratio 0.56 None 10.1021/acs.jmedchem.1c00419

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002462 CC(=O)NCCCNCCCCNCCCN>>CC(=O)O.NCCCNCCCCNCCCN None
AKRT002465 CC(=O)NCCCNCCCCNCCCN>>NCCCNCCCCNCCCN 51896
AKRT004404 CC(=O)[32S].NCCCNCCCCNCCCN>>CC(=O)NCCCNCCCCNCCCN None
AKRT004493 CC(=O)[CoA].CC(=O)[CoA].NCCCNCCCCNCCCN>>CC(=O)NCCCNCCCCNCCCNC(C)=O MNXR136136
AKRT004632 CC(=O)[CoA].NCCCNCCCCNCCCN>>CC(=O)NCCCNCCCCNCCCN RXN-9939
AKRT014484 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCNCCCN>>NCCCNCCCCNCCCN SPERMINE-SYNTHASE-RXN
AKRT014491 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCNCCCN>>CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCN(CCCN)CCCN None
AKRT014492 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCNCCCN>>CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCNCCCNCCCN None
AKRT014493 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCNCCCN>>NCCCNCCCCN(CCCN)CCCN 42880
AKRT014494 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCNCCCN>>NCCCNCCCCNCCCNCCCN enzymemap_40000
AKRT017155 NC(=O)OP(=O)(O)O.NCCCNCCCCNCCCN>>N=C(O)NCCCNCCCCNCCCN MNXR130370
AKRT017156 NC(=O)OP(=O)(O)O.NCCCNCCCCNCCCN>>NCCCNCCCCNCCCNC(N)=O enzymemap_28139
AKRT017968 NCCCCN.NCCCNCCCCNCCCN>>NCCCCNCCCCNCCCN enzymemap_40547
AKRT018203 NCCCNCCCCNCCCN.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>NCCCNCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O R08352
AKRT018204 NCCCNCCCCNCCCN>>NCCC=O RXN-9015
AKRT018205 NCCCNCCCCNCCCN>>NCCC=O.NCCCCNCCCN None
AKRT018206 NCCCNCCCCNCCCN>>NCCCCNCCCN RXN-9015
AKRT018207 NCCCNCCCCNCCCN>>NCCCN RXN-6421
AKRT018208 NCCCNCCCCNCCCN>>NCCCNCCCC=O RXN-6421
AKRT018209 NCCCNCCCCNCCCN>>NCCCNCCCCNCCC=O 69148
AKRT018210 NCCCNCCCCNCCCN>>O=CCCNCCCCNCCC=O 69136