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name Structure Reference Source Properties Activities Metabolism

[({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl)oxy]methyl 2,2-dimethylpropanoate

AlkaPlorer ID: AK032701

Synonym: None

IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Structure

SMILES: CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C21)OCOC(=O)C(C)(C)C

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InChI: InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)

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InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

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Reference

PubChem CID: 60871

CAS: 13422-55-4

NPASS: NPC487151

COCONUT: CNP0074399

Source

Species Genus Family Order Class Phylum Kingdom Domain
Mylabris phalerata Mylabris Meloidae Coleoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 501.47700000000026

TPSA？: 166.97999999999996

MolLogP？: 2.702500000000001

Number of H-Donors: 1

Number of H-Acceptors: 13

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 46945.0 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 56234.1 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 166670.0 nM None
Betapolyomavirus hominis BK polyomavirus EC50 700.0 nM 10.1128/aac.01241-07
Chlorocebus sabaeus Vero CC50 22560.0 nM 10.1021/jm960289o
Chlorocebus sabaeus Vero EC50 870.0 nM 10.1021/jm960289o
Chlorocebus sabaeus Vero EC50 1150.0 nM 10.1021/jm960289o
Chlorocebus sabaeus Vero IC50 600.0 nM 10.1021/jm00038a015
Cowpox virus Cowpox virus IC50 13000.0 nM 10.1016/j.bmc.2008.11.075
Duck hepatitis B virus Duck hepatitis B virus Activity 0.8 g 10.1007/s00044-011-9616-2
Duck hepatitis B virus Duck hepatitis B virus Activity nan None 10.1007/s00044-011-9616-2
Duck hepatitis B virus Duck hepatitis B virus Inhibition nan % 10.1007/s00044-011-9616-2
Hepatitis B virus Hepatitis B virus Activity -5.7 log10CFU/ml 10.1128/aac.00467-07
Hepatitis B virus Hepatitis B virus Activity 35.0 IU/ml 10.1128/aac.00467-07
Hepatitis B virus Hepatitis B virus Activity nan None 10.1007/s00044-011-9616-2
Hepatitis B virus Hepatitis B virus EC50 830.0 nM 10.1016/j.ejmech.2013.02.039
Hepatitis B virus Hepatitis B virus EC50 960.0 nM 10.1016/j.ejmech.2012.01.013
Hepatitis B virus Hepatitis B virus EC50 1500.0 nM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC50 1500.0 nM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC50 1800.0 nM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC50 2000.0 nM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC50 2000.0 nM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC50 2100.0 nM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC50 2200.0 nM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC50 2400.0 nM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC50 2500.0 nM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC50 2600.0 nM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC50 3090.0 nM 10.1016/j.bmc.2019.07.012
Hepatitis B virus Hepatitis B virus EC50 7500.0 nM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC50 9800.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 10000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 13000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 13600.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 14000.0 nM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC50 15000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 15500.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 15800.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 27000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 40000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 48000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 50300.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 77000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC50 100000.0 nM 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus EC90 7.0 uM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC90 7.0 uM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC90 7.2 uM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC90 7.2 uM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC90 7.3 uM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC90 7.6 uM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC90 8.0 uM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC90 8.0 uM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus EC90 8.2 uM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC90 8.3 uM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC90 29.0 uM 10.1016/j.bmcl.2010.01.010
Hepatitis B virus Hepatitis B virus EC90 52.0 uM 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus ED50 0.2 umol.kg-1 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus ED90 3.6 umol/Kg 10.1128/aac.00114-09
Hepatitis B virus Hepatitis B virus IC50 330.0 nM 10.1016/j.bmcl.2009.10.072
Hepatitis B virus Hepatitis B virus IC50 480.0 nM 10.1007/s00044-011-9616-2
Hepatitis B virus Hepatitis B virus IC50 580.0 nM 10.1007/s00044-011-9616-2
Hepatitis B virus Hepatitis B virus Inhibition nan % 10.1007/s00044-011-9616-2
Hepatitis B virus Hepatitis B virus Ratio EC50 0.7 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 0.98 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 1.1 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 2.7 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 3.2 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 4.0 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 4.8 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 6.3 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 7.7 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 10.0 None 10.1128/aac.01440-06
Hepatitis B virus Hepatitis B virus Ratio EC50 15.0 None 10.1128/aac.01440-06
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile acid transporter Activity nan None 10.1016/j.bmc.2019.07.012
Homo sapiens Bile acid transporter Km nan None 10.1016/j.bmc.2019.07.012
Homo sapiens Bile acid transporter Vmax nan None 10.1016/j.bmc.2019.07.012
Homo sapiens Bile acid transporter Vmax/Km nan None 10.1016/j.bmc.2019.07.012
Homo sapiens Bile salt export pump IC50 46000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens CCRF-CEM CC50 740.0 nM 10.1021/jm050641a
Homo sapiens CCRF-CEM CC50 1600.0 nM 10.1016/j.ejmech.2013.02.039
Homo sapiens CCRF-CEM T1/2 11.0 hr 10.1016/j.ejmech.2013.02.039
Homo sapiens CEM-SS CC50 4400.0 nM 10.1021/jm960289o
Homo sapiens CEM-SS EC50 40.0 nM 10.1021/jm960289o
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HEK293 Activity 47.16 % 10.1016/j.bmc.2019.07.012
Homo sapiens HEL MCC 50000.0 nM 10.1016/j.ejmech.2013.02.039
Homo sapiens HepG2 Activity nan None 10.1007/s00044-011-9616-2
Homo sapiens HepG2 2.2.15 CC50 438920.0 nM 10.1016/j.bmc.2019.07.012
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 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 -4.89 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 18.04 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 6309.6 nM None
Homo sapiens HK-2 Activity 16.8 % 10.1016/j.bmc.2019.07.012
Homo sapiens HK-2 Activity 18.9 % 10.1016/j.bmc.2019.07.012
Homo sapiens HK-2 Activity 43.3 % 10.1016/j.bmc.2019.07.012
Homo sapiens HK-2 Activity 61.01 % 10.1016/j.bmc.2019.07.012
Homo sapiens HK-2 Activity nan None 10.1016/j.bmc.2019.07.012
Homo sapiens Homo sapiens Activity 15.0 % 10.1128/aac.00467-07
Homo sapiens Homo sapiens Activity nan None 10.1128/aac.00467-07
Homo sapiens Homo sapiens AUC 383.63 ng.hr.mL-1 10.1093/toxsci/kft176
Homo sapiens Homo sapiens Css 0.032 uM 10.1093/toxsci/kft176
Homo sapiens Homo sapiens Rate of hydrolysis 2.4 None 10.1021/jm960289o
Homo sapiens Homo sapiens Rate of hydrolysis 5.0 None 10.1021/jm960289o
Homo sapiens Huh-7 CC50 25000.0 nM 10.1016/j.ejmech.2013.02.039
Homo sapiens Huh-7 T1/2 11.0 hr 10.1016/j.ejmech.2013.02.039
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Liver microsomes T1/2 0.75 hr 10.1016/j.bmcl.2009.10.072
Homo sapiens Melanocortin receptor 3 AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MRC5 CC50 15700.0 nM 10.1021/jm960289o
Homo sapiens MRC5 EC50 910.0 nM 10.1021/jm960289o
Homo sapiens MRC5 EC50 1230.0 nM 10.1021/jm960289o
Homo sapiens MT4 CC50 740.0 nM 10.1021/jm960289o
Homo sapiens MT4 EC50 80.0 nM 10.1021/jm960289o
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 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 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens PBMC Activity 18.0 None 10.1128/aac.00467-07
Homo sapiens PBMC Activity 26.3 None 10.1128/aac.00467-07
Homo sapiens PBMC Activity 51.0 pg/ml 10.1128/aac.00467-07
Homo sapiens PBMC Activity 58.9 None 10.1128/aac.00467-07
Homo sapiens PBMC Activity 61.5 None 10.1128/aac.00467-07
Homo sapiens PBMC Activity 63.9 None 10.1128/aac.00467-07
Homo sapiens PBMC Activity 184.3 None 10.1128/aac.00467-07
Homo sapiens PBMC Activity nan None 10.1128/aac.00467-07
Homo sapiens Phosphodiesterase 3A 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 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier family 22 member 6 Activity 400.0 pmol/min/mg 10.1016/j.bmc.2019.07.012
Homo sapiens Solute carrier family 22 member 6 IC50 13500.0 nM 10.1016/j.bmc.2019.07.012
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 Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Human alphaherpesvirus 1 Human alphaherpesvirus 1 EC50 200.0 nM 10.1016/j.ejmech.2013.02.039
Human alphaherpesvirus 2 Human alphaherpesvirus 2 EC50 200.0 nM 10.1016/j.ejmech.2013.02.039
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 45.0 nM 10.1016/j.ejmech.2013.02.039
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 180.0 nM 10.1021/jm050641a
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 62.0 nM 10.1016/j.ejmech.2013.02.039
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 75.0 nM 10.1021/jm050641a
Marmota monax Marmota monax Activity nan None 10.1128/aac.00654-08
Plasmodium falciparum Plasmodium falciparum IC50 37300.0 nM 10.1021/acs.jmedchem.9b00182
Plasmodium falciparum Plasmodium falciparum Potency 6745.6 nM None
Plasmodium falciparum Plasmodium falciparum Potency 15101.4 nM None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Intestine Selectivity index 0.08 None 10.1021/jm7012216
Rattus norvegicus Kidney Drug uptake 742.0 nmol.hr/g 10.1021/jm7012216
Rattus norvegicus Liver Drug uptake 284.0 nmol.hr/g 10.1021/jm7012216
Rattus norvegicus Liver Selectivity index 0.4 None 10.1021/jm7012216
Rattus norvegicus Peripheral myelin protein 22 Potency 28695.4 nM None
Rattus norvegicus Plasma Drug uptake 34.0 nmol.hr/g 10.1021/jm7012216
Rattus norvegicus Plasma T1/2 0.75 hr 10.1016/j.bmcl.2009.10.072
Rattus norvegicus Rattus norvegicus Drug uptake 3206.0 nmol.hr/g 10.1021/jm7012216
Rattus norvegicus Rattus norvegicus T1/2 0.52 hr 10.1016/j.ejmech.2012.01.013
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -0.4186 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 30.75 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1661 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -3.56 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.24 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.49 % 10.6019/CHEMBL4495565
Trypanosoma brucei 6-phospho-1-fructokinase Potency 25118.9 nM None
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Putative uncharacterized protein Potency 35481.3 nM None
Vaccinia virus Vaccinia virus EC50 4000.0 nM 10.1016/j.ejmech.2013.02.039
Vaccinia virus Vaccinia virus IC50 5100.0 nM 10.1016/j.bmc.2008.11.075
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 1.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 1.8 None 10.1128/aac.00325-07
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 2.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 2.5 None 10.1128/aac.00325-07
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 4.1 log10ng/ml 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 4.3 log10ng/ml 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 4.8 log10ng/ml 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 5.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 5.0 log10ng/ml 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 13.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 21.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 24.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 33.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 34.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 45.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 46.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 48.0 % 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 151.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 324.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 330.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity 1147.0 pg 10.1128/aac.00654-08
Woodchuck hepatitis virus Woodchuck hepatitis virus Activity nan None 10.1128/aac.00654-08
None ADMET Activity 42.32 % 10.1016/j.ejmech.2012.01.013
None ADMET Activity 47.49 % 10.1016/j.ejmech.2012.01.013
None ADMET Activity 50.02 % 10.1016/j.ejmech.2012.01.013
None ADMET AUC 1655.22 ng.hr.mL-1 10.1016/j.bmc.2019.07.012
None ADMET CC50 3100.0 nM 10.1128/aac.01241-07
None ADMET CC50 365000.0 nM 10.1128/aac.01440-06
None ADMET CC50 471100.0 nM 10.1016/j.ejmech.2012.01.013
None ADMET CC50 488050.0 nM 10.1016/j.ejmech.2012.01.013
None ADMET CC50 555000.0 nM 10.1016/j.bmcl.2009.10.072
None ADMET CL 60.4 L/hr 10.1016/j.bmc.2019.07.012
None ADMET Cmax 1222561.22 nM 10.1016/j.bmc.2019.07.012
None ADMET Drug metabolism nan None 10.1016/j.ejmech.2013.02.039
None ADMET Drug uptake 50.73 micromol/min 10.1016/j.bmc.2019.07.012
None ADMET Drug uptake nan None 10.1016/j.bmc.2019.07.012
None ADMET F 17.3 % 10.1021/jm00038a015
None ADMET Kel 0.395 /hr 10.1016/j.bmc.2019.07.012
None ADMET MRT 5.676 hr 10.1016/j.bmc.2019.07.012
None ADMET Rate of decomposition 3.7 None 10.1021/jm960289o
None ADMET Rate of decomposition 32.7 None 10.1021/jm960289o
None ADMET T1/2 1.762 hr 10.1016/j.bmc.2019.07.012
None ADMET T1/2 5.0 hr 10.1021/jm960289o
None ADMET T1/2 55.0 hr 10.1016/j.ejmech.2013.02.039
None ADMET Vd 153.13 L.kg-1 10.1016/j.bmc.2019.07.012
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
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 1.0 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 1.0 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 CC50 400000.0 nM 10.1021/acs.jnatprod.6b00332
None NON-PROTEIN TARGET IC50 270000.0 nM 10.1021/acs.jnatprod.6b00332
None NON-PROTEIN TARGET IC50 290000.0 nM 10.1021/acs.jnatprod.6b00332
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 29.8 nM None
None NON-PROTEIN TARGET Potency 14950.2 nM None
None No relevant target Drug degradation 39.1 % 10.1016/j.ejmech.2012.01.013
None No relevant target Drug degradation 42.5 % 10.1016/j.ejmech.2012.01.013
None No relevant target LogP 2.48 None 10.1021/jm960289o
None No relevant target Stability 14.7 hr 10.1021/jm050641a
None No relevant target Stability nan % 10.1021/jm050641a
None No relevant target T1/2 1.0 hr 10.1016/j.ejmech.2013.02.039
None No relevant target T1/2 7.0 hr 10.1016/j.ejmech.2013.02.039
None No relevant target T1/2 31.0 hr 10.1016/j.ejmech.2013.02.039
None No relevant target T1/2 48.0 hr 10.1016/j.ejmech.2013.02.039
None No relevant target T1/2 72.0 hr 10.1016/j.ejmech.2013.02.039
None Unchecked Ac50 0.631 uM None
None Unchecked Ac50 1.122 uM None
None Unchecked Ac50 11.22 uM None
None Unchecked Ac50 44.67 uM None
None Unchecked AC50 631.0 nM None
None Unchecked AC50 1122.0 nM None
None Unchecked AC50 11220.2 nM None
None Unchecked AC50 44670.0 nM None
None Unchecked IC50 60.8 nM None
None Unchecked IC50 134.0 nM None
None Unchecked IC50 387.4 nM None
None Unchecked IC50 391.3 nM None
None Unchecked IC50 704.3 nM None
None Unchecked IC50 10000.0 nM None
None Unchecked Ratio 0.00069 None 10.1093/toxsci/kft176
None Unchecked Ratio 7.5 None 10.1016/j.bmc.2019.07.012
None Unchecked Ratio CC50/EC50 142.04 None 10.1016/j.bmc.2019.07.012
None Unchecked Ratio CC50/EC50 490.73 None 10.1016/j.ejmech.2012.01.013
None Unchecked Ratio CC50/IC50 1680.0 None 10.1016/j.bmcl.2009.10.072
None Unchecked Selectivity Index 5.7 None 10.1128/aac.01241-07

Metabolism Information