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name Structure Reference Source Properties Activities Metabolism

Puromycin

AlkaPlorer ID: AK004132

Synonym: None

IUPAC Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

Structure

SMILES: COC1=CC=C(C[C@H](N)C(O)=N[C@H]2[C@@H](O)[C@H](N3C=NC4=C(N(C)C)N=CN=C43)O[C@@H]2CO)C=C1

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InChI: InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1

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InChIKey: RXWNCPJZOCPEPQ-NVWDDTSBSA-N

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Properties Information

Molecule Weight: 471.51800000000026

TPSA？: 164.36999999999998

MolLogP？: 0.0466000000000024

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus spizizenii Bacillus spizizenii MIC 4000.0 nM 10.1021/acs.jnatprod.8b00720
Bacteria Bacterial 70S ribosome IC50 900.0 nM 10.1128/aac.01193-07
Bacteria Bacterial 70S ribosome Km 234000.0 nM 10.1021/jm00206a014
Bacteria Bacterial 70S ribosome Vmax 3.99 pmol/min 10.1021/jm00206a014
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chlorocebus sabaeus Vero CC50 2800.0 nM 10.1016/j.ejmech.2017.07.048
Cricetulus griseus CHO Log CR 2.02 None 10.1021/jm00169a014
Cryptosporidium parvum Cryptosporidium parvum EC50 550.0 nM 10.1021/acs.jnatprod.7b00850
Cryptosporidium parvum Cryptosporidium parvum EC50 600.0 nM 10.1021/acs.jnatprod.7b00850
Electrophorus electricus Acetylcholinesterase Inhibition -7.92 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition -9.98 % 10.1016/j.bmc.2012.09.040
Escherichia coli Escherichia coli Activity 25.0 % 10.1038/nchembio.274
Escherichia coli Escherichia coli Activity nan None 10.1038/nchembio.274
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.00388-09
Escherichia coli Escherichia coli Ki 220000.0 nM 10.1021/jm00352a004
Escherichia coli Escherichia coli Km 186000.0 nM 10.1021/jm00161a044
Escherichia coli Escherichia coli MIC 120000.0 nM 10.1021/acs.jnatprod.8b00720
Homo sapiens A549 IC50 300.0 nM 10.1021/acs.jnatprod.8b00720
Homo sapiens A549 IC50 600.0 nM 10.1016/j.ejmech.2016.03.042
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Aminopeptidase N IC50 41000.0 nM 10.1016/j.ejmech.2017.07.048
Homo sapiens Aminopeptidase N Inhibition 15.7 % 10.1016/j.ejmech.2017.07.048
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens BT-474 GI 100.0 % 10.1021/np300074z
Homo sapiens BXPC-3 GI 100.0 % 10.1021/np300074z
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 1.8 nM None
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucose transporter Inhibition 3.7 % 10.6019/CHEMBL3433997
Homo sapiens HCT-8 EC50 6100.0 nM 10.1021/acs.jnatprod.7b00850
Homo sapiens HEK293 CC50 230.0 nM 10.1039/d0md00058b
Homo sapiens HEK293 CC50 500.1 nM 10.1021/acs.jmedchem.8b01310
Homo sapiens HEK293 GI 100.0 % 10.1021/np300074z
Homo sapiens HEK293 GI 104.9 % 10.1021/acs.jmedchem.8b01310
Homo sapiens HEK293 IC50 0.35 nM 10.1016/j.bmcl.2016.05.039
Homo sapiens HEK293 IC50 350.5 nM 10.1016/j.ejmech.2016.03.064
Homo sapiens HEK293 IC50 360.0 nM 10.1021/acs.jnatprod.6b00759
Homo sapiens HEK293 IC50 360.0 nM 10.1021/acs.jnatprod.9b00721
Homo sapiens HEK293 IC50 361.0 nM 10.1021/acs.jnatprod.5b00581
Homo sapiens HEK293 IC50 399.0 nM 10.1016/j.bmcl.2017.03.065
Homo sapiens HEK293 IC50 400.0 nM 10.1021/acs.jnatprod.8b00154
Homo sapiens HEK293 IC50 420.0 nM 10.1016/j.bmcl.2010.05.091
Homo sapiens HEK293 IC50 450.0 nM 10.1021/acs.jnatprod.7b00587
Homo sapiens HEK293 IC50 460.0 nM 10.1016/j.bmcl.2017.07.039
Homo sapiens HEK293 IC50 460.0 nM 10.1021/acs.jnatprod.7b00992
Homo sapiens HEK293 IC50 664.5 nM 10.1021/acs.jnatprod.2c01041
Homo sapiens HEK293 IC50 694.0 nM 10.1021/acs.jnatprod.8b00956
Homo sapiens HEK293 IC50 810.0 nM 10.1021/acs.jnatprod.0c00929
Homo sapiens HEK-293T CC50 420.0 nM 10.1021/acs.jnatprod.7b00850
Homo sapiens HeLa Inhibition 99.0 % 10.1016/j.ejmech.2017.07.048
Homo sapiens HepG2 CC50 830.0 nM 10.1021/acs.jnatprod.7b00850
Homo sapiens HepG2 IC50 210.0 nM 10.1021/np070458f
Homo sapiens HepG2 IC50 230.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens HepG2 IC50 83930.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens HepG2 IC50 364000.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens HepG2 Inhibition 99.0 % 10.1038/nature09107
Homo sapiens HepG2 pCC50 6.3 None 10.1016/j.ejmech.2017.09.067
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens HL-60 EC50 55.0 nM 10.1016/j.ejmech.2017.07.048
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Huh-7 CC50 6630.0 nM 10.1073/pnas.0802982105
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens K562 IC50 220.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens K562 IC50 26830.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens K562 IC50 122000.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB 3-1 IC50 378000.0 nM 10.1016/j.bmc.2008.02.029
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF-10A GI 100.0 % 10.1021/np300074z
Homo sapiens MDA-MB-231 CC50 480.0 nM 10.1021/acsmedchemlett.7b00018
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens MIA PaCa-2 CC50 200.0 nM 10.1021/acsmedchemlett.7b00018
Homo sapiens MOLT-4 EC50 170.0 nM 10.1016/j.ejmech.2017.07.048
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens PANC-1 GI 100.0 % 10.1021/np300074z
Homo sapiens PC-3 IC50 300.0 nM 10.1021/acs.jnatprod.8b00720
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.bbrc.2004.01.156
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 % maximum response 1.91 % None
Homo sapiens P-glycoprotein 1 Papp 11.5 nm/s None
Homo sapiens P-glycoprotein 1 Papp 35.6 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 1.21 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 3.1 None None
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Puromycin-sensitive aminopeptidase IC50 2450.0 nM 10.1016/j.ejmech.2015.10.026
Homo sapiens Puromycin-sensitive aminopeptidase IC50 9700.0 nM 10.1016/j.ejmech.2017.07.048
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SU-DHL10 CC50 110.0 nM 10.1021/acsmedchemlett.7b00018
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 IC50 18000000.0 nM 10.1016/j.bmc.2016.09.045
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Leishmania mexicana Glucose transporter Inhibition 3.16 % 10.6019/CHEMBL3433997
Micrococcus luteus Micrococcus luteus MIC 4000.0 nM 10.1021/acs.jnatprod.8b00720
Mus musculus Dihydrofolate reductase Log 1/C 6.41 None 10.1021/jm00369a019
Mus musculus Dihydrofolate reductase Log 1/C 6.46 None 10.1021/jm00369a019
Mus musculus J774.A1 IC50 10000.0 nM 10.1021/np300221a
Mus musculus L1210 Log CR 1.82 None 10.1021/jm00169a014
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 17782.8 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 22387.2 nM None
Mus musculus P388 IC50 0.5 ug.mL-1 10.1021/jm00100a003
Mus musculus P388 Inhibition 64.0 % 10.1021/jm00365a003
Mus musculus P815 Inhibition 98.0 % 10.1021/jm00365a003
Mycolicibacterium aurum Mycolicibacterium aurum MIC 4000.0 nM 10.1021/acs.jnatprod.8b00720
Mycoplasmoides gallisepticum Mycoplasmoides gallisepticum Activity nan None 10.1128/aac.00388-09
Mycoplasmoides pneumoniae Mycoplasmoides pneumoniae Activity nan None 10.1128/aac.00388-09
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Plasmodium falciparum Hexose transporter 1 Inhibition 1.9 % 10.6019/CHEMBL3433997
Plasmodium falciparum Plasmodium falciparum Activity 100.0 % 10.1021/acs.jnatprod.7b00587
Plasmodium falciparum Plasmodium falciparum EC50 328.0 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 611.0 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum IC50 22.7 nM 10.1021/acs.jnatprod.5b00581
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1021/acs.jnatprod.6b00759
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1021/acs.jnatprod.9b00721
Plasmodium falciparum Plasmodium falciparum IC50 32.0 nM 10.1021/acs.jnatprod.7b00587
Plasmodium falciparum Plasmodium falciparum IC50 42.0 nM 10.1016/j.bmc.2015.04.017
Plasmodium falciparum Plasmodium falciparum IC50 42.9 nM 10.1021/acs.jnatprod.2c01041
Plasmodium falciparum Plasmodium falciparum IC50 43.8 nM 10.1016/j.bmcl.2017.07.039
Plasmodium falciparum Plasmodium falciparum IC50 44.0 nM 10.1021/acs.jnatprod.7b00992
Plasmodium falciparum Plasmodium falciparum IC50 45.0 nM 10.1021/acs.jnatprod.6b00759
Plasmodium falciparum Plasmodium falciparum IC50 45.0 nM 10.1021/acs.jnatprod.9b00721
Plasmodium falciparum Plasmodium falciparum IC50 45.2 nM 10.1021/acs.jnatprod.5b00581
Plasmodium falciparum Plasmodium falciparum IC50 46.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 53.0 nM 10.1021/acs.jnatprod.7b00587
Plasmodium falciparum Plasmodium falciparum IC50 53.0 nM 10.1021/acs.jnatprod.7b00992
Plasmodium falciparum Plasmodium falciparum IC50 53.2 nM 10.1016/j.bmcl.2017.07.039
Plasmodium falciparum Plasmodium falciparum IC50 60.0 nM 10.1016/j.bmcl.2016.05.039
Plasmodium falciparum Plasmodium falciparum IC50 60.0 nM 10.1021/acs.jnatprod.8b00154
Plasmodium falciparum Plasmodium falciparum IC50 61.0 nM 10.1016/j.bmcl.2017.03.065
Plasmodium falciparum Plasmodium falciparum IC50 61.0 nM 10.1021/acs.jnatprod.8b00154
Plasmodium falciparum Plasmodium falciparum IC50 62.0 nM 10.1016/j.bmcl.2016.05.039
Plasmodium falciparum Plasmodium falciparum IC50 62.0 nM 10.1016/j.bmcl.2017.03.065
Plasmodium falciparum Plasmodium falciparum IC50 64.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 68.0 nM 10.1021/acs.jnatprod.0c00929
Plasmodium falciparum Plasmodium falciparum IC50 70.2 nM 10.1021/acs.jnatprod.8b00956
Plasmodium falciparum Plasmodium falciparum IC50 74.7 nM 10.1021/acs.jnatprod.8b00956
Plasmodium falciparum Plasmodium falciparum IC50 81.4 nM 10.1021/acs.jnatprod.2c01041
Plasmodium falciparum Plasmodium falciparum IC50 89.0 nM 10.1021/np300074z
Plasmodium falciparum Plasmodium falciparum IC50 106.6 nM 10.1021/acs.jmedchem.8b01310
Plasmodium falciparum Plasmodium falciparum IC50 110.0 nM 10.1021/acs.jnatprod.0c00929
Plasmodium falciparum Plasmodium falciparum IC50 110.8 nM 10.1021/acs.jmedchem.8b01310
Plasmodium falciparum Plasmodium falciparum IC50 114.4 nM 10.1016/j.ejmech.2021.113518
Plasmodium falciparum Plasmodium falciparum IC50 137.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 148.9 nM 10.1016/j.ejmech.2021.113518
Plasmodium falciparum Plasmodium falciparum IC50 175.0 nM 10.1016/j.bmcl.2014.11.039
Plasmodium falciparum Plasmodium falciparum IC50 194.0 nM 10.1016/j.bmcl.2014.11.039
Plasmodium falciparum Plasmodium falciparum IC50 410.0 nM 10.1021/acs.jmedchem.8b01799
Plasmodium falciparum Plasmodium falciparum Inhibition 0.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Inhibition 100.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum XC50 174.18 nM 10.1038/nature09107
Poliovirus 1 Poliovirus 1 Activity nan None 10.1128/aac.00011-08
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus Km 255000.0 nM 10.1021/jm00161a044
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 0.312 ug.mL-1 10.1021/np060495r
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 120000.0 nM 10.1021/acs.jnatprod.8b00720
Salmonella enterica Salmonella enterica MIC 120000.0 nM 10.1021/acs.jnatprod.8b00720
Staphylococcus aureus Staphylococcus aureus MIC 4000.0 nM 10.1021/acs.jnatprod.8b00720
Streptomyces acidiscabies Streptomyces acidiscabies DIZ nan None 10.1584/jpestics.28.183
Streptomyces acidiscabies Streptomyces acidiscabies IZ 20.0 mm 10.1584/jpestics.28.183
Streptomyces alboniger Streptomyces alboniger DIZ nan None 10.1584/jpestics.28.183
Streptomyces scabiei Streptomyces scabiei DIZ nan None 10.1584/jpestics.28.183
Sus scrofa Aminopeptidase N IC50 100000.0 nM 10.1016/j.ejmech.2015.10.026
Trypanosoma brucei brucei Trypanosoma brucei brucei Activity 100.0 % 10.1021/jm500191u
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 37.0 nM 10.1016/j.bmcl.2010.05.091
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 38.0 nM 10.1039/d0md00058b
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 50.0 nM 10.1021/acs.jmedchem.0c01372
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 50.0 nM 10.1021/acs.jmedchem.8b01578
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 50.12 nM 10.1021/acs.jmedchem.8b01578
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 51.97 nM 10.1039/d0md00277a
Trypanosoma cruzi Trypanosoma cruzi IC50 2500.0 nM 10.1021/acs.jmedchem.0c01372
None ADMET Ratio IC50 6.0 None 10.1016/j.bmcl.2016.05.039
None ADMET Ratio IC50 8.2 None 10.1021/acs.jnatprod.2c01041
None ADMET Ratio IC50 15.5 None 10.1021/acs.jnatprod.2c01041
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None NON-PROTEIN TARGET Activity nan None 10.1128/aac.00388-09
None NON-PROTEIN TARGET ED50 0.3 ug ml-1 10.1021/jm00161a044
None NON-PROTEIN TARGET GI 100.0 % 10.1021/np300074z
None NON-PROTEIN TARGET IC50 210.0 nM 10.1016/j.bmc.2008.02.029
None NON-PROTEIN TARGET IC50 700.0 nM 10.1016/j.ejmech.2016.03.042
None NON-PROTEIN TARGET IC50 20200.0 nM 10.1021/np070458f
None NON-PROTEIN TARGET IC50 79300.0 nM 10.1016/j.bmc.2008.02.029
None No relevant target LogD 0.86 None 10.1021/jm00169a014
None No relevant target LogP 0.03 None 10.1021/jm00369a019
None Nucleic Acid Activity 1.0 uM 10.1038/nchembio.274
None Nucleic Acid EC50 100.0 nM 10.1038/nchembio.274
None Osteoclast-like Inhibition 61.0 % 10.1021/jm00365a003
None Unchecked Activity nan None 10.1016/j.bmcl.2007.05.071
None Unchecked Efficiency 100.0 % 10.1021/jm00161a044
None Unchecked IC50 100000.0 nM 10.1016/j.ejmech.2015.10.026
None Unchecked IC50 nan None 10.1016/j.bmc.2015.07.062
None Unchecked IC50 nan None None
None Unchecked IFI 8.45 % 10.1038/nature09107
None Unchecked IFI 30.77 % 10.1073/pnas.0802982105
None Unchecked Inhibition 0.0 % 10.1016/j.bmc.2009.03.028
None Unchecked Kd 5850.0 nM 10.1016/j.bmc.2015.07.062
None Unchecked Kd 11800.0 nM 10.1016/j.bmc.2015.07.062
None Unchecked Kd 12700.0 nM 10.1016/j.bmc.2015.07.062
None Unchecked Kd 480000.0 nM 10.1016/j.bmc.2016.07.050
None Unchecked Ki 4000.0 nM 10.1016/j.ejmech.2021.113669
None Unchecked Ki nan None None
None Unchecked Km 134000.0 nM 10.1021/jm00135a013
None Unchecked Log CR 1.92 None 10.1021/jm00169a014
None Unchecked Potency 707.9 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Ratio 10161.0 None 10.1021/jm00161a044
None Unchecked Ratio 55741.0 None 10.1021/jm00161a044
None Unchecked Ratio CC50/IC50 4.5 None 10.1021/acs.jmedchem.8b01310
None Unchecked Ratio IC50 0.8 None 10.1016/j.ejmech.2021.113518
None Unchecked Ratio IC50 1.1 None 10.1021/acs.jnatprod.8b00956
None Unchecked Ratio IC50 1.16 None 10.1016/j.bmcl.2017.07.039
None Unchecked Ratio IC50 1.9 None 10.1021/acs.jnatprod.2c01041
None Unchecked Ratio IC50 8.0 None 10.1021/acs.jnatprod.7b00587
None Unchecked Ratio IC50 8.0 None 10.1039/d0md00277a
None Unchecked Ratio IC50 9.0 None 10.1016/j.bmcl.2017.07.039
None Unchecked Ratio IC50 9.0 None 10.1021/acs.jnatprod.7b00992
None Unchecked Ratio IC50 9.9 None 10.1021/acs.jnatprod.8b00956
None Unchecked Ratio IC50 10.5 None 10.1021/acs.jnatprod.7b00992
None Unchecked Ratio IC50 15.9 None 10.1021/acs.jnatprod.6b00759
None Unchecked Ratio IC50 15.9 None 10.1021/acs.jnatprod.9b00721
None Unchecked Ratio IC50 353.0 None 10.1021/acs.jnatprod.0c00929
None Unchecked Ratio IC50 585.0 None 10.1021/acs.jnatprod.0c00929
None Unchecked Substrate efficiency 100.0 % 10.1021/jm00135a013
None Unchecked Vmax 0.99 pM min-1 10.1021/jm00135a013
None Unchecked Vmax 1890.0 c.p.m. 10.1021/jm00161a044
None Unchecked Vmax 14214.0 c.p.m. 10.1021/jm00161a044

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010439 CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@H]1O.C[SAH]>>COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1 enzymemap_27355
AKRT011810 COc1ccc(C[C@H](NC(C)=O)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1>>COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1 R05677