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name Structure Reference Source Properties Activities Metabolism

2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid

AlkaPlorer ID: AK014120

Synonym: None

IUPAC Name: 2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate

Structure

SMILES: O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

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InChI: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2

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InChIKey: KCXVZYZYPLLWCC-UHFFFAOYSA-L

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Properties Information

Molecule Weight: 290.228

TPSA？: 169.39999999999998

MolLogP？: -10.244200000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Beta-lactamase II IC50 1060000.0 nM 10.1016/j.bmcl.2012.08.012
Bacteria Cell membrane Activity 69.7 % 10.1021/acsmedchemlett.2c00015
Bacteria Cell membrane Activity 76.4 % 10.1021/acsmedchemlett.2c00015
Candida parapsilosis Candida parapsilosis CFU/ml 160.0 None 10.1128/aac.00154-06
Candida parapsilosis Candida parapsilosis CFU/ml 500.0 None 10.1128/aac.00154-06
Candida parapsilosis Candida parapsilosis CFU/ml 5000.0 None 10.1128/aac.00154-06
Cavia porcellus Ileum Activity 49.7 % 10.1021/np060073h
Crotalus adamanteus cAMP-specific 3',5'-cyclic phosphodiesterase 4B IC50 74000.0 nM 10.1007/s00044-011-9804-0
Crotalus adamanteus cAMP-specific 3',5'-cyclic phosphodiesterase 4B IC50 274000.0 nM 10.1007/s00044-013-0523-6
Enterobacter cloacae IMI-1 Activity nan None 10.1128/aac.00491-07
Enterococcus faecalis Enterococcus faecalis MBC 2000.0 uM 10.1021/acs.jmedchem.1c00168
Enterococcus faecalis Enterococcus faecalis MBEC 2000.0 uM 10.1021/acs.jmedchem.1c00168
Enterococcus faecalis Enterococcus faecalis MIC 500000.0 nM 10.1021/acs.jmedchem.1c00168
Escherichia coli Beta-lactamase IZ 21.66 mm 10.1016/j.bmcl.2017.10.074
Escherichia coli Escherichia coli MIC 0.25 ug.mL-1 10.1016/j.bmc.2020.115902
Escherichia coli Escherichia coli MIC nan None 10.1016/j.bmc.2020.115902
Escherichia coli Metallo-beta-lactamase NDM-4 IZ 18.2 mm 10.1016/j.ejmech.2019.01.083
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Amyloid-beta A4 protein IC50 7700.0 nM 10.1021/jm400564j
Homo sapiens Amyloid-beta A4 protein IC50 28400.0 nM 10.1021/jm400564j
Homo sapiens Amyloid-beta A4 protein Inhibition 90.0 % 10.1016/j.ejmech.2013.10.068
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin-converting enzyme IC50 14000.0 nM 10.1021/acs.jnatprod.7b00829
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 3548.1 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Eyes absent homolog 2 Activity nan None None
Homo sapiens Eyes absent homolog 2 IC50 65000.0 nM None
Homo sapiens Eyes absent homolog 2 IC50 100000.0 nM None
Homo sapiens Eyes absent homolog 2 IC50 380000.0 nM None
Homo sapiens Eyes absent homolog 2 IC50 1000000.0 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -8.06 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 0.06 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 281.8 nM None
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Human immunodeficiency virus type I enhancer-binding protein 1 Binding 0.0 % 10.1021/jm00051a002
Homo sapiens Human immunodeficiency virus type I enhancer-binding protein 1 Binding 16.0 % 10.1021/jm00051a002
Homo sapiens Human immunodeficiency virus type I enhancer-binding protein 1 Binding 33.0 % 10.1021/jm00051a002
Homo sapiens Insulin-degrading enzyme Inhibition 100.0 % 10.1016/j.ejmech.2019.06.057
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Matrix metalloproteinase 13 Inhibition 70.0 % 10.1021/jm501284e
Homo sapiens Melanocortin receptor 3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 24336.5 nM None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotransferrin Fe removed 0.0 % 10.1021/jm00357a022
Homo sapiens Serotransferrin Fe removed 37.0 % 10.1021/jm00357a022
Homo sapiens Serum amyloid P-component Inhibition 100.0 % None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 81.77 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 82.24 % 10.1124/mol.112.084152
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1258.9 nM None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Carbepenem-hydrolyzing beta-lactamase KPC Activity nan None 10.1128/aac.00491-07
Klebsiella pneumoniae Klebsiella pneumoniae Activity nan None 10.1128/aac.00380-10
Mus musculus Mus musculus ID/g 0.01 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 0.21 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 1.53 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 1.54 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 1.64 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 1.81 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 2.41 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 2.73 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 3.21 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 3.49 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 4.21 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 5.45 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 7.45 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 7.56 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 7.77 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 8.09 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 9.12 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 9.21 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 10.3 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 39.8 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 53.9 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 56.5 % 10.1021/jm990141f
Mus musculus Mus musculus ID/g 85.94 % 10.1021/jm990141f
Mycolicibacterium smegmatis Mycolicibacterium smegmatis Activity nan None 10.1016/s0960-894x(01)00258-x
Pseudoalteromonas Pseudoalteromonas Activity nan None 10.1128/aac.00449-07
Pseudomonas aeruginosa Beta-lactamase IC50 27900.0 nM 10.1016/j.bmcl.2012.08.012
Pseudomonas aeruginosa Beta-lactamase VIM-1 IC50 9300.0 nM 10.1128/aac.00465-08
Pseudomonas aeruginosa Class B carbapenemase VIM-13 IC50 252600.0 nM 10.1128/aac.00465-08
Rattus norvegicus Androgen Receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Serratia fonticola Carbapenem-hydrolizing beta-lactamase SFC-1 Activity nan None 10.1128/aac.00491-07
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 2.523 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 21.78 % 10.6019/CHEMBL4495564
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
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -2.85 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.12 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.05 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus CFU/ml 480.0 None 10.1128/aac.00154-06
Staphylococcus aureus Staphylococcus aureus CFU/ml 500.0 None 10.1128/aac.00154-06
Staphylococcus aureus Staphylococcus aureus CFU/ml 5000.0 None 10.1128/aac.00154-06
Staphylococcus aureus Staphylococcus aureus MBC 2000.0 uM 10.1021/acs.jmedchem.1c00168
Staphylococcus aureus Staphylococcus aureus MBC 2000.0 uM 10.1021/acs.jmedchem.5b02004
Staphylococcus aureus Staphylococcus aureus MBC 2000.0 uM 10.1021/acs.jmedchem.7b01903
Staphylococcus aureus Staphylococcus aureus MBEC 2000.0 uM 10.1021/acs.jmedchem.1c00168
Staphylococcus aureus Staphylococcus aureus MBEC 2000.0 uM 10.1021/acs.jmedchem.5b02004
Staphylococcus aureus Staphylococcus aureus MBEC 2000.0 uM 10.1021/acs.jmedchem.7b01903
Staphylococcus aureus Staphylococcus aureus MIC 25000.0 nM 10.1021/acs.jmedchem.1c00168
Staphylococcus aureus Staphylococcus aureus MIC 25000.0 nM 10.1021/acs.jmedchem.7b01903
Staphylococcus aureus Staphylococcus aureus MIC 125000.0 nM 10.1021/acs.jmedchem.1c00168
Staphylococcus epidermidis Staphylococcus epidermidis MBC 1000.0 uM 10.1021/acs.jmedchem.1c00168
Staphylococcus epidermidis Staphylococcus epidermidis MBC 1000.0 uM 10.1021/acs.jmedchem.5b02004
Staphylococcus epidermidis Staphylococcus epidermidis MBC 1000.0 uM 10.1021/acs.jmedchem.7b01903
Staphylococcus epidermidis Staphylococcus epidermidis MBEC 2000.0 uM 10.1021/acs.jmedchem.1c00168
Staphylococcus epidermidis Staphylococcus epidermidis MBEC 2000.0 uM 10.1021/acs.jmedchem.5b02004
Staphylococcus epidermidis Staphylococcus epidermidis MBEC 2000.0 uM 10.1021/acs.jmedchem.7b01903
None ADMET Activity 3.0 % 10.1021/acs.jmedchem.5b02004
None ADMET log10(%HIA +10) 1.176 None 10.1016/j.ejmech.2010.11.005
None Erythrocyte Activity 1.0 % 10.1021/acs.jmedchem.1c00168
None Erythrocyte Activity 3.0 % 10.1021/acs.jmedchem.7b01903
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Activity 43.67 % 10.1007/s00044-013-0468-9
None NON-PROTEIN TARGET EC50 3.4e-05 ug.mL-1 10.1007/s00044-012-9987-z
None NON-PROTEIN TARGET IC50 100.0 nM 10.1016/j.bmc.2010.05.045
None NON-PROTEIN TARGET IC50 54000.0 nM 10.1021/jm400197m
None NON-PROTEIN TARGET IC50 185640.0 nM 10.1016/j.bmc.2009.05.019
None No relevant target Activity 6.9 % 10.1016/j.bmc.2016.09.006
None No relevant target Activity 80.0 % 10.1016/j.bmc.2015.08.024
None No relevant target Activity 96.4 % 10.1016/j.ejmech.2017.09.057
None No relevant target Activity 164.0 % 10.1016/j.ejmech.2016.05.015
None No relevant target Activity 429.0 % 10.1016/j.ejmech.2016.05.015
None No relevant target Activity nan None 10.1016/j.ejmech.2019.02.001
None No relevant target Activity nan None 10.1016/j.ejmech.2021.113702
None No relevant target Activity nan None 10.1016/j.ejmech.2021.113779
None No relevant target Activity nan None 10.1021/acs.jmedchem.7b00407
None No relevant target IC50 44.11 ug.mL-1 10.1016/j.ejmech.2018.07.007
None No relevant target IC50 50.98 ug.mL-1 10.1016/j.bmc.2014.10.015
None No relevant target IC50 1750.0 nM 10.1016/j.ejmech.2021.113702
None No relevant target IC50 12500.0 nM 10.1016/j.ejmech.2021.113702
None No relevant target IC50 20000.0 nM 10.1016/j.ejmech.2016.04.012
None No relevant target IC50 42000.0 nM 10.1016/j.bmc.2016.09.006
None No relevant target IC50 54000.0 nM 10.1021/acs.jmedchem.5b00575
None No relevant target IC50 200000.0 nM 10.1016/j.ejmech.2021.113702
None No relevant target Inhibition nan % 10.1021/acs.jmedchem.7b00741
None No relevant target P 0.13 M l-1 10.1016/s0960-894x(99)00527-2
None Unchecked Activity 10.0 % 10.1021/acs.jmedchem.7b00407
None Unchecked Activity 309.0 % 10.1021/jm0606342
None Unchecked Activity 343.0 % 10.1021/jm0606342
None Unchecked Activity 475.0 % 10.1021/jm0606342
None Unchecked Activity 482.0 % 10.1021/jm0606342
None Unchecked Activity nan None 10.1021/acs.jmedchem.7b00407
None Unchecked EC50 10000.0 nM 10.1016/s0960-894x(03)00280-4
None Unchecked IC50 100.0 nM 10.1021/np4000944
None Unchecked IC50 540.0 nM 10.1016/j.ejmech.2022.114174
None Unchecked IC50 1600.0 nM 10.1016/j.ejmech.2021.113667
None Unchecked IC50 8470.0 nM 10.1016/j.ejmech.2019.01.083
None Unchecked IC50 102950.0 nM 10.1016/j.bmc.2020.115873
None Unchecked IC50 274000.0 nM 10.1016/j.bmc.2011.12.041
None Unchecked IC50 274000.0 nM 10.1021/np040142x
None Unchecked IC50 277690.0 nM 10.1016/j.bmc.2014.08.032
None Unchecked IC50 80000000.0 nM 10.1021/acs.jnatprod.9b00334
None Unchecked Inhibition 84.0 % 10.1016/j.ejmech.2016.07.052
None Unchecked Inhibition 84.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition 87.0 % 10.1016/j.ejmech.2021.113975
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.8b01310
None Unchecked IZ 13.9 mm 10.1016/j.ejmech.2019.01.083
None Unchecked Ki 815000.0 nM 10.1128/aac.00083-07
None Unchecked Ki 3500000.0 nM 10.1021/jm00091a009
None Unchecked MIC 0.25 ug.mL-1 10.1016/j.bmc.2020.115902

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT022838 O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O>>O=C(O)CNCCN(CC(=O)O)CC(=O)O RXN-17507
AKRT022839 O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O>>O=C(O)CNCCNCC(=O)O RXN-17509
AKRT022902 O=C(O)CNCCN(CC(=O)O)CC(=O)O.O=CC(=O)O>>O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O RXN-17507
AKRT022903 O=C(O)CNCCNCC(=O)O.O=CC(=O)O.O=CC(=O)O>>O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O RXN-17509