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name Structure Reference Source Properties Activities Metabolism

delta-N-methylarginine

AlkaPlorer ID: AK012611

Synonym: None

IUPAC Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid

Structure

SMILES: CNC(=N)NCCC[C@H](N)C(=O)O

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InChI: InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1

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InChIKey: NTNWOCRCBQPEKQ-YFKPBYRVSA-N

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Properties Information

Molecule Weight: 188.231

TPSA？: 111.23

MolLogP？: -1.0777299999999994

Number of H-Donors: 5

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Nitric-oxide synthase, endothelial IC50 7000.0 nM 10.1021/jm980073h
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 Potency 15848.9 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 DLD-1 IC50 170000.0 nM 10.1016/s0960-894x(01)00120-2
Homo sapiens HERG EC50 nan None 10.1021/jm3000449
Homo sapiens Histone deacetylase 6 Inhibition 4.08 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 15.49 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 39810.7 nM None
Homo sapiens HL-60 Activity nan None 10.1021/np100233d
Homo sapiens HL-60 Inhibition nan % 10.1007/s00044-012-0354-x
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 14125.4 nM None
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Kcat 0.42 /min 10.1074/jbc.m707231200
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Kcat 0.79 /min 10.1074/jbc.m707231200
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Kcat/Km 2.2 /mM/min 10.1074/jbc.m707231200
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Kcat/Km 9.0 /mM/min 10.1074/jbc.m707231200
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Km 90000.0 nM 10.1074/jbc.m707231200
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Km 106000.0 nM 10.1016/j.bmc.2008.10.058
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Km 190000.0 nM 10.1074/jbc.m707231200
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Vmax 154.0 nmol/min/mg 10.1016/j.bmc.2008.10.058
Homo sapiens Nitric-oxide synthase, brain IC50 890.0 nM 10.1016/s0960-894x(03)00351-2
Homo sapiens Nitric-oxide synthase, brain IC50 950.0 nM 10.1021/jm3000449
Homo sapiens Nitric-oxide synthase, brain IC50 950.0 nM 10.1021/ml200268w
Homo sapiens Nitric-oxide synthase, brain IC50 2700.0 nM 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric-oxide synthase, brain IC50 4900.0 nM 10.1016/s0960-894x(00)00055-x
Homo sapiens Nitric-oxide synthase, brain IC50 10000.0 nM 10.1021/jm970840x
Homo sapiens Nitric-oxide synthase, brain Ki 840.0 nM 10.1016/S0960-894X(97)00309-0
Homo sapiens Nitric-oxide synthase, brain Ki 840.0 nM 10.1021/jm980072p
Homo sapiens Nitric-oxide synthase, endothelial IC50 300.0 nM 10.1016/s0960-894x(01)00119-6
Homo sapiens Nitric-oxide synthase, endothelial IC50 300.0 nM 10.1016/s0960-894x(01)00120-2
Homo sapiens Nitric-oxide synthase, endothelial IC50 540.0 nM 10.1016/s0960-894x(03)00351-2
Homo sapiens Nitric-oxide synthase, endothelial IC50 650.0 nM 10.1021/jm3000449
Homo sapiens Nitric-oxide synthase, endothelial IC50 650.0 nM 10.1021/ml200268w
Homo sapiens Nitric-oxide synthase, endothelial IC50 3500.0 nM 10.1016/s0960-894x(00)00055-x
Homo sapiens Nitric-oxide synthase, endothelial IC50 5900.0 nM 10.1021/jm970840x
Homo sapiens Nitric-oxide synthase, endothelial IC50 6000.0 nM 10.1021/jm960481q
Homo sapiens Nitric-oxide synthase, endothelial IC50 8700.0 nM 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric-oxide synthase, endothelial Ki 400.0 nM 10.1016/S0960-894X(97)00309-0
Homo sapiens Nitric-oxide synthase, endothelial Ki 400.0 nM 10.1021/jm980072p
Homo sapiens Nitric-oxide synthase (endothelial and brain) Selectivity 0.5 None 10.1021/jm980072p
Homo sapiens Nitric-oxide synthase (endothelial and brain) Selectivity 0.6 None 10.1016/s0960-894x(03)00351-2
Homo sapiens Nitric oxide synthase, inducible IC50 1.8 nM 10.1021/ml200268w
Homo sapiens Nitric oxide synthase, inducible IC50 300.0 nM 10.1016/s0960-894x(01)00119-6
Homo sapiens Nitric oxide synthase, inducible IC50 300.0 nM 10.1016/s0960-894x(01)00120-2
Homo sapiens Nitric oxide synthase, inducible IC50 1000.0 nM 10.1016/s0960-894x(03)00351-2
Homo sapiens Nitric oxide synthase, inducible IC50 1800.0 nM 10.1021/jm3000449
Homo sapiens Nitric oxide synthase, inducible IC50 3400.0 nM 10.1021/jm701575k
Homo sapiens Nitric oxide synthase, inducible IC50 6600.0 nM 10.1016/s0960-894x(00)00055-x
Homo sapiens Nitric oxide synthase, inducible IC50 10000.0 nM 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric oxide synthase, inducible IC50 14000.0 nM 10.1021/jm970840x
Homo sapiens Nitric oxide synthase, inducible IC50 27000.0 nM 10.1021/jm960481q
Homo sapiens Nitric oxide synthase, inducible IC50 170000000.0 nM 10.1016/s0960-894x(01)00119-6
Homo sapiens Nitric oxide synthase, inducible Ki 860.0 nM 10.1016/S0960-894X(97)00309-0
Homo sapiens Nitric oxide synthase, inducible Ki 860.0 nM 10.1021/jm980072p
Homo sapiens Nitric oxide synthase (inducible and endothelial) Ratio 0.4 None 10.1021/jm970840x
Homo sapiens Nitric oxide synthase (inducible and endothelial) Ratio 0.5 None 10.1016/s0960-894x(00)00055-x
Homo sapiens Nitric oxide synthase (inducible and endothelial) Selectivity ratio 0.2 None 10.1021/jm960481q
Homo sapiens Nitric oxide sythases; iNOS & nNOS Ratio 0.7 None 10.1016/s0960-894x(00)00055-x
Homo sapiens Nitric oxide sythases; iNOS & nNOS Ratio 0.7 None 10.1021/jm970840x
Homo sapiens Nitric oxide sythases; iNOS & nNOS Ratio IC50 2.0 None 10.1021/jm3000449
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity 0.3 None 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity 0.9 None 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity 1.0 None 10.1016/s0960-894x(03)00351-2
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity 1.0 None 10.1021/jm980072p
Homo sapiens Vitamin D receptor Potency 35481.3 nM None
Mus musculus BV-2 Activity 94.4 % 10.1016/j.bmcl.2018.11.014
Mus musculus BV-2 Activity 95.5 % 10.1016/j.bmcl.2017.02.040
Mus musculus BV-2 Activity 98.2 % 10.1016/j.bmcl.2012.10.043
Mus musculus BV-2 Activity 98.7 % 10.1021/np200541m
Mus musculus BV-2 Activity 98.8 % 10.1016/j.bmcl.2012.08.016
Mus musculus BV-2 Activity 99.2 % 10.1021/acs.jnatprod.9b01158
Mus musculus BV-2 Activity 99.7 % 10.1021/acs.jnatprod.9b00142
Mus musculus BV-2 Activity 102.3 % 10.1016/j.bmcl.2013.01.050
Mus musculus BV-2 Activity 103.1 % 10.1016/j.bmcl.2013.04.073
Mus musculus BV-2 Activity 103.2 % 10.1016/j.bmcl.2013.01.115
Mus musculus BV-2 Activity 104.5 % 10.1021/acs.jnatprod.1c01033
Mus musculus BV-2 Activity 104.6 % 10.1021/acs.jnatprod.8b00245
Mus musculus BV-2 Activity 109.54 % 10.1021/acs.jnatprod.1c00480
Mus musculus BV-2 Activity 114.1 % 10.1021/acs.jnatprod.7b00111
Mus musculus BV-2 Activity 120.05 % 10.1021/acs.jnatprod.6b00981
Mus musculus BV-2 Activity 120.3 % 10.1021/acs.jnatprod.7b00410
Mus musculus BV-2 CC50 200000.0 nM 10.1021/acs.jnatprod.1c00293
Mus musculus BV-2 IC50 10000.0 nM 10.1021/acs.jnatprod.1c00293
Mus musculus BV-2 IC50 13200.0 nM 10.1016/j.bmcl.2007.12.052
Mus musculus BV-2 IC50 13200.0 nM 10.1021/acs.jnatprod.7b00410
Mus musculus BV-2 IC50 14290.0 nM 10.1016/j.bmcl.2013.01.050
Mus musculus BV-2 IC50 15410.0 nM 10.1021/np200541m
Mus musculus BV-2 IC50 16050.0 nM 10.1016/j.ejmech.2018.11.037
Mus musculus BV-2 IC50 16270.0 nM 10.1016/j.bmcl.2012.10.043
Mus musculus BV-2 IC50 16320.0 nM 10.1016/j.bmcl.2013.01.115
Mus musculus BV-2 IC50 16800.0 nM 10.1016/j.bmcl.2009.10.016
Mus musculus BV-2 IC50 16800.0 nM 10.1021/np400326e
Mus musculus BV-2 IC50 17000.0 nM 10.1021/acs.jnatprod.9b00142
Mus musculus BV-2 IC50 17080.0 nM 10.1016/j.bmcl.2011.02.104
Mus musculus BV-2 IC50 17600.0 nM 10.1021/acs.jnatprod.6b00582
Mus musculus BV-2 IC50 18250.0 nM 10.1016/j.bmcl.2012.08.016
Mus musculus BV-2 IC50 18260.0 nM 10.1016/j.bmcl.2013.04.073
Mus musculus BV-2 IC50 18300.0 nM 10.1016/j.bmcl.2014.11.001
Mus musculus BV-2 IC50 20530.0 nM 10.1016/j.bmcl.2015.12.004
Mus musculus BV-2 IC50 21250.0 nM 10.1021/acs.jnatprod.6b00981
Mus musculus BV-2 IC50 21370.0 nM 10.1021/acs.jnatprod.1c00480
Mus musculus BV-2 IC50 21400.0 nM 10.1021/acs.jnatprod.8b00245
Mus musculus BV-2 IC50 21400.0 nM 10.1021/acs.jnatprod.8b00570
Mus musculus BV-2 IC50 21800.0 nM 10.1021/acs.jnatprod.7b00111
Mus musculus BV-2 IC50 21900.0 nM 10.1021/acs.jnatprod.9b00527
Mus musculus BV-2 IC50 22100.0 nM 10.1016/j.bmcl.2017.02.040
Mus musculus BV-2 IC50 26580.0 nM 10.1016/j.bmcl.2018.11.014
Mus musculus BV-2 IC50 27200.0 nM 10.1021/acs.jnatprod.1c01033
Mus musculus BV-2 IC50 28800.0 nM 10.1021/acs.jnatprod.9b01158
Mus musculus BV-2 IC50 31800.0 nM 10.1021/acs.jnatprod.1c00947
Mus musculus BV-2 IC50 39280.0 nM 10.1021/acs.jnatprod.6b00251
Mus musculus BV-2 Inhibition 55.3 % 10.1016/j.bmcl.2009.10.016
Mus musculus BV-2 Survival 60.54 % 10.1016/j.ejmech.2018.11.037
Mus musculus J774 IC50 26000.0 nM 10.1016/s0960-894x(02)00854-5
Mus musculus J774.1 IC50 13.8 ug.mL-1 10.1021/np200013g
Mus musculus J774.1 IC50 26000.0 nM 10.1021/np020455x
Mus musculus J774.1 IC50 27100.0 nM 10.1021/np050009k
Mus musculus J774.1 IC50 31600.0 nM 10.1021/np070478h
Mus musculus J774.1 IC50 35700.0 nM 10.1021/np030471+
Mus musculus Mus musculus Activity 97.2 % 10.1016/j.bmcl.2016.10.034
Mus musculus Mus musculus Activity 98.5 % 10.1021/acs.jnatprod.6b00061
Mus musculus Mus musculus Activity 100.1 % 10.1016/j.bmcl.2016.10.034
Mus musculus Mus musculus Activity 100.3 % 10.1016/j.bmcl.2016.10.034
Mus musculus Mus musculus Activity 113.3 % 10.1016/j.bmcl.2016.10.034
Mus musculus Mus musculus IC50 2730.0 nM 10.1016/j.bmcl.2016.10.034
Mus musculus Mus musculus IC50 28000.0 nM 10.1016/s0960-894x(01)00413-9
Mus musculus Mus musculus IC50 28000.0 nM 10.1016/s0960-894x(99)00536-3
Mus musculus Mus musculus IC50 28000.0 nM 10.1016/s0960-894x(99)00702-7
Mus musculus Mus musculus Inhibition 2.0 % 10.1016/s0960-894x(01)00413-9
Mus musculus Mus musculus Inhibition 2.0 % 10.1016/s0960-894x(99)00536-3
Mus musculus Mus musculus Inhibition 4.4 % 10.1016/s0960-894x(99)00536-3
Mus musculus Mus musculus Inhibition 17.7 % 10.1016/s0960-894x(01)00413-9
Mus musculus Mus musculus Inhibition 17.7 % 10.1016/s0960-894x(99)00536-3
Mus musculus Mus musculus Inhibition 52.3 % 10.1016/s0960-894x(01)00413-9
Mus musculus Mus musculus Inhibition 52.3 % 10.1016/s0960-894x(99)00536-3
Mus musculus Mus musculus Inhibition 79.2 % 10.1016/s0960-894x(01)00413-9
Mus musculus Mus musculus Inhibition 79.2 % 10.1016/s0960-894x(99)00536-3
Mus musculus Nitric-oxide synthase, brain IC50 4300.0 nM 10.1016/j.bmcl.2003.11.010
Mus musculus Nitric oxide synthase, inducible IC50 2300.0 nM 10.1016/j.bmc.2015.04.057
Mus musculus Nitric oxide synthase, inducible IC50 13000.0 nM 10.1021/np030529k
Mus musculus Nitric oxide synthase, inducible IC50 19000.0 nM 10.1016/j.bmcl.2003.11.010
Mus musculus Nitric oxide synthase, inducible IC50 19700.0 nM 10.1016/j.bmc.2012.10.006
Mus musculus Nitric oxide synthase, inducible IC50 22100.0 nM 10.1016/j.bmc.2011.09.020
Mus musculus Nitric oxide synthase, inducible IC50 25000.0 nM 10.1016/0960-894X(96)00144-8
Mus musculus Nitric oxide synthase, inducible IC50 25000.0 nM 10.1021/jm980073h
Mus musculus RAW264.7 Activity 97.6 % 10.1016/j.bmcl.2016.02.023
Mus musculus RAW264.7 Activity 98.6 % 10.1016/j.bmcl.2016.02.023
Mus musculus RAW264.7 Activity nan None 10.1021/acs.jnatprod.5b00066
Mus musculus RAW264.7 Activity nan None 10.1021/np100233d
Mus musculus RAW264.7 FC 0.92 None 10.1016/j.bmcl.2016.10.034
Mus musculus RAW264.7 IC50 2690.0 nM 10.1016/j.bmcl.2016.02.023
Mus musculus RAW264.7 IC50 16110.0 nM 10.1016/j.bmcl.2018.04.037
Mus musculus RAW264.7 IC50 19200.0 nM 10.1021/np0600346
Mus musculus RAW264.7 IC50 19700.0 nM 10.1016/j.bmc.2011.09.031
Mus musculus RAW264.7 IC50 19700.0 nM 10.1016/j.bmc.2012.01.047
Mus musculus RAW264.7 IC50 19700.0 nM 10.1021/np100373f
Mus musculus RAW264.7 IC50 19900.0 nM 10.1016/j.bmcl.2011.02.034
Mus musculus RAW264.7 IC50 21720.0 nM 10.1021/np400565e
Mus musculus RAW264.7 IC50 23500.0 nM 10.1016/j.bmcl.2016.04.077
Mus musculus RAW264.7 IC50 25100.0 nM 10.1016/j.bmcl.2015.08.063
Mus musculus RAW264.7 IC50 25800.0 nM 10.1021/acs.jnatprod.7b00867
Mus musculus RAW264.7 IC50 27200.0 nM 10.1021/acs.jnatprod.9b00283
Mus musculus RAW264.7 IC50 30920.0 nM 10.1021/acs.jnatprod.7b00042
Mus musculus RAW264.7 IC50 32900.0 nM 10.1021/acs.jnatprod.7b00845
Mus musculus RAW264.7 IC50 33840.0 nM 10.1016/j.bmcl.2020.127682
Mus musculus RAW264.7 IC50 35500.0 nM 10.1021/acs.jnatprod.1c00146
Mus musculus RAW264.7 IC50 39200.0 nM 10.1021/acs.jnatprod.5b00066
Mus musculus RAW264.7 IC50 40400.0 nM 10.1021/np3007217
Mus musculus RAW264.7 IC50 40500.0 nM 10.1021/acs.jnatprod.5b00165
Mus musculus RAW264.7 IC50 44360.0 nM 10.1021/acs.jnatprod.2c00203
Mus musculus RAW264.7 IC50 45000.0 nM 10.1021/acs.jnatprod.5b00839
Mus musculus RAW264.7 IC50 50000.0 nM 10.1021/np0600346
Mus musculus RAW264.7 IC50 73300.0 nM 10.1016/j.bmcl.2015.11.081
Mus musculus RAW264.7 Inhibition -12.5 % 10.1016/j.bmcl.2018.04.037
Mus musculus RAW264.7 Inhibition 14.2 % 10.1016/j.bmcl.2018.04.037
Mus musculus RAW264.7 Inhibition 20.9 % 10.1016/j.bmcl.2016.02.023
Mus musculus RAW264.7 Inhibition 25.8 % 10.1021/np990116c
Mus musculus RAW264.7 Inhibition 53.3 % 10.1021/np990116c
Mus musculus RAW264.7 Inhibition 60.5 % 10.1021/np990116c
Mus musculus RAW264.7 Inhibition 74.0 % 10.1021/np4009877
Mus musculus RAW264.7 Inhibition 92.4 % 10.1016/j.bmcl.2016.02.023
Mus musculus RAW264.7 Ratio CC50/IC50 2.6 None 10.1021/np0600346
Photinus pyralis Luciferin 4-monooxygenase Potency 40533.4 nM None
Rattus norvegicus Dimethylarginine dimethylaminohydrolase 1 Kcat 5.6 /min 10.1074/jbc.m707231200
Rattus norvegicus Dimethylarginine dimethylaminohydrolase 1 Kcat/Km 16.0 /mM/min 10.1074/jbc.m707231200
Rattus norvegicus Dimethylarginine dimethylaminohydrolase 1 Km 360000.0 nM 10.1074/jbc.m707231200
Rattus norvegicus Nitric-oxide synthase, brain IC50 100.0 nM 10.1016/s0960-894x(01)00119-6
Rattus norvegicus Nitric-oxide synthase, brain IC50 100.0 nM 10.1016/s0960-894x(01)00120-2
Rattus norvegicus Nitric-oxide synthase, brain IC50 7500.0 nM 10.1021/jm980073h
Rattus norvegicus Nitric-oxide synthase, brain IC50 10000.0 nM 10.1016/0960-894X(96)00144-8
Rattus norvegicus Nitric-oxide synthase, brain Ki 200.0 nM 10.1021/jm3015926
Rattus norvegicus Rattus norvegicus Dose 100.0 uM kg-1 10.1016/s0960-894x(01)00120-2
Rattus norvegicus Rattus norvegicus EC50 14000.0 nM 10.1021/jm980073h
Rattus norvegicus Rattus norvegicus ED50 100.0 umol.kg-1 10.1016/s0960-894x(01)00120-2
Rattus norvegicus Rattus norvegicus Emax 119.0 % 10.1021/jm980073h
Rattus norvegicus Rattus norvegicus IC50 3000.0 nM 10.1021/jm980073h
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1412.5 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
None ADMET Activity 81.6 % 10.1021/np030529k
None ADMET Activity 90.5 % 10.1021/np030529k
None ADMET Activity 96.7 % 10.1021/np030529k
None ADMET Activity 98.2 % 10.1016/j.bmcl.2016.01.008
None ADMET Activity 98.5 % 10.1021/acs.jnatprod.5b00195
None ADMET Activity 99.8 % 10.1021/np500488v
None ADMET Activity 100.42 % 10.1016/j.bmcl.2015.12.004
None ADMET Activity 101.56 % 10.1016/j.bmcl.2016.03.023
None ADMET Activity 105.7 % 10.1021/np030529k
None ADMET Activity 106.5 % 10.1021/acs.jnatprod.5b00090
None ADMET Activity 108.5 % 10.1016/j.bmcl.2015.08.061
None ADMET Activity 111.5 % 10.1016/j.bmcl.2015.08.061
None ADMET Activity 131.9 % 10.1021/np030529k
None ADMET IC50 27100.0 nM 10.1021/np070478h
None Macrophage IC50 28000.0 nM 10.1021/np020078o
None Macrophage IC50 57000.0 nM 10.1021/np030529k
None Macrophage Inhibition 2.0 % 10.1021/np020078o
None Macrophage Inhibition 5.9 % 10.1021/np0205710
None Macrophage Inhibition 5.9 % 10.1021/np030529k
None Macrophage Inhibition 10.3 % 10.1021/np0205710
None Macrophage Inhibition 10.3 % 10.1021/np030529k
None Macrophage Inhibition 15.0 % 10.1021/np0205710
None Macrophage Inhibition 15.0 % 10.1021/np030529k
None Macrophage Inhibition 17.7 % 10.1021/np020078o
None Macrophage Inhibition 34.1 % 10.1021/np0205710
None Macrophage Inhibition 34.1 % 10.1021/np030529k
None Macrophage Inhibition 52.3 % 10.1021/np020078o
None Macrophage Inhibition 63.1 % 10.1021/np0205710
None Macrophage Inhibition 63.1 % 10.1021/np030529k
None Macrophage Inhibition 79.2 % 10.1021/np020078o
None Molecular identity unknown Activity nan None 10.1016/j.bmc.2009.10.013
None NON-PROTEIN TARGET Activity 14.1 uM 10.1016/j.bmcl.2015.08.061
None NON-PROTEIN TARGET Activity 20.1 uM 10.1016/j.bmcl.2015.08.061
None NON-PROTEIN TARGET IC50 22.0 ug.mL-1 10.1021/np100458b
None NON-PROTEIN TARGET IC50 14400.0 nM 10.1021/acs.jnatprod.5b00195
None NON-PROTEIN TARGET IC50 14400.0 nM 10.1021/acs.jnatprod.6b00061
None NON-PROTEIN TARGET IC50 16270.0 nM 10.1016/j.bmcl.2016.01.008
None NON-PROTEIN TARGET IC50 20780.0 nM 10.1016/j.bmcl.2016.03.023
None NON-PROTEIN TARGET IC50 24300.0 nM 10.1021/np500488v
None NON-PROTEIN TARGET IC50 24800.0 nM 10.1021/acs.jnatprod.5b00090
None NON-PROTEIN TARGET IC50 24800.0 nM 10.1021/acs.jnatprod.5b01053
None NON-PROTEIN TARGET Inhibition 15.0 % 10.1016/j.bmcl.2016.10.034
None NON-PROTEIN TARGET Inhibition 90.1 % 10.1016/j.bmcl.2016.10.034
None Unchecked IC50 19200.0 nM 10.1016/j.bmcl.2008.11.103
None Unchecked IC50 57000.0 nM 10.1021/np0205710
None Unchecked IC50 100800.0 nM 10.1021/np100233d
None Unchecked Kcat 35.0 /min 10.1074/jbc.m707231200
None Unchecked Kcat/Km 800.0 /mM/min 10.1074/jbc.m707231200
None Unchecked Ki 4200.0 nM 10.1021/jm00084a020
None Unchecked K inact 0.05 min-1 10.1021/jm00084a020
None Unchecked Km 44000.0 nM 10.1074/jbc.m707231200
None Unchecked Ratio IC50 0.7 None 10.1021/jm3000449
None Unchecked Ratio Ki 4.5 None 10.1021/jm3015926
None Unchecked Ratio Ki 65.0 None 10.1021/jm3015926
None Unchecked Selectivity 0.23 None 10.1016/j.bmcl.2003.11.010
None Unchecked Selectivity 0.5 None 10.1021/jm990111c
None Unchecked Selectivity 0.6 None 10.1021/jm990111c

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010655 CNC(=N)NCCC[C@H](N)C(=O)O>>CN 25173
AKRT010656 CNC(=N)NCCC[C@H](N)C(=O)O>>CN(N=O)C(=O)N(O)CCC[C@H](N)C(=O)O RXN-22538
AKRT010657 CNC(=N)NCCC[C@H](N)C(=O)O>>CN.NC(=O)NCCC[C@H](N)C(=O)O None
AKRT010658 CNC(=N)NCCC[C@H](N)C(=O)O>>CNC(=N)N(O)CCC[C@H](N)C(=O)O RXN-22534
AKRT010659 CNC(=N)NCCC[C@H](N)C(=O)O>>NC(=O)NCCC[C@H](N)C(=O)O 25173
AKRT012633 C[33S].N=C(N)NCCC[C@H](N)C(=O)O>>CNC(=N)NCCC[C@H](N)C(=O)O None
AKRT014624 C[SAH].N=C(N)NCCC[C@H](N)C(=O)O>>CNC(=N)NCCC[C@H](N)C(=O)O RXN-22539