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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK322865

Synonym: None

IUPAC Name: None

Structure

SMILES: CC1=CCC(C(=O)/N=C2\CC=C(S(=O)(=O)O)C3=CC(S(=O)(=O)O)=CC(S(=O)(=O)O)=C23)=C/C1=N/C(=O)C1=CC=C/C(=N\C(=O)/N=C2\C=CC=C(C(=O)/N=C3/CC(C(=O)/N=C4\CC=C(S(=O)(=O)O)C5=CC(S(=O)(=O)O)=CC(S(=O)(=O)O)=C45)=CC=C3C)C2)C1

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InChI: InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-

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InChIKey: VTCUUTNDNRAQSK-NCNWUEASSA-N

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Reference

NPASS: NPC479376

Properties Information

Molecule Weight: 1297.3019999999997

TPSA？: 485.73

MolLogP？: 4.532400000000004

Number of H-Donors: 6

Number of H-Acceptors: 17

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chikungunya virus Chikungunya virus EC50 80000.0 nM 10.1016/j.ejmech.2022.114164
Chlorocebus sabaeus Vero TC50 200.0 uM 10.1021/acs.jmedchem.9b00142
dengue virus type 2 dengue virus type 2 EC50 40000.0 nM 10.1021/acs.jmedchem.5b01653
Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) Dengue virus type 2 NS3 protein Ki 750.0 nM 10.1021/acs.jmedchem.5b01653
Escherichia coli GroEL/GroES IC50 7900.0 nM 10.1016/j.bmcl.2016.09.051
Escherichia coli GroEL/GroES IC50 8100.0 nM 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES IC50 16000.0 nM 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES IC50 250000.0 nM 10.1016/j.bmcl.2016.09.051
Escherichia coli GroEL/GroES Inhibition 20.0 % 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES Inhibition 42.0 % 10.1016/j.bmcl.2019.02.028
Escherichia coli (strain K12) 60 kDa chaperonin IC50 250000.0 nM 10.1016/j.bmcl.2019.02.028
Escherichia coli (strain K12) 60 kDa chaperonin Kd 9800.0 nM 10.1016/j.bmcl.2019.02.028
Homo sapiens Bile salt export pump IC50 107000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bis(5'-adenosyl)-triphosphatase IC50 50000.0 nM 10.1021/acs.jmedchem.1c00874
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 36800.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens CDGSH iron-sulfur domain-containing protein 1 IC50 nan None 10.1016/j.bmcl.2016.09.009
Homo sapiens CDGSH iron-sulfur domain-containing protein 1 Ki nan None 10.1016/j.bmcl.2016.09.009
Homo sapiens Chromobox protein homolog 7 IC50 8100.0 nM 10.1016/j.ejmech.2017.04.047
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 1 IC50 16000.0 nM 10.1021/acs.jmedchem.0c01044
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 1 IC50 16100.0 nM 10.1016/j.ejmech.2017.07.017
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 2 IC50 24000.0 nM 10.1021/acs.jmedchem.0c01044
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 2 IC50 24100.0 nM 10.1016/j.ejmech.2017.07.017
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 3 IC50 4300.0 nM 10.1021/acs.jmedchem.0c01044
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 3 IC50 4310.0 nM 10.1016/j.ejmech.2017.07.017
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 8 IC50 100000.0 nM 10.1016/j.ejmech.2017.07.017
Homo sapiens Ectonucleoside triphosphate diphosphohydrolase 8 IC50 100000.0 nM 10.1021/acs.jmedchem.0c01044
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 7770.0 nM 10.1016/j.ejmech.2020.112759
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 7770.0 nM 10.1016/j.ejmech.2021.113339
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 8670.0 nM 10.1016/j.bmc.2019.04.031
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 8670.0 nM 10.1016/j.ejmech.2017.07.017
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 8670.0 nM 10.1016/j.ejmech.2018.07.002
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 8670.0 nM 10.1016/j.ejmech.2019.07.063
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 8670.0 nM 10.1039/C7MD00015D
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Ki 260.0 nM 10.1016/j.bmc.2016.05.046
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Ki 260.0 nM 10.1039/C7MD00015D
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Ki 780.0 nM 10.1039/C7MD00015D
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Ki 1030.0 nM 10.1039/C7MD00015D
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Ki 1070.0 nM 10.1039/C7MD00015D
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 IC50 890.0 nM 10.1016/j.ejmech.2020.112759
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 IC50 890.0 nM 10.1016/j.ejmech.2021.113339
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 IC50 1270.0 nM 10.1016/j.bmc.2019.04.031
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 IC50 1270.0 nM 10.1016/j.ejmech.2017.07.017
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 IC50 1270.0 nM 10.1016/j.ejmech.2018.07.002
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 IC50 1270.0 nM 10.1016/j.ejmech.2019.07.063
Homo sapiens Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 Ki 40.0 nM 10.1039/D1MD00117E
Homo sapiens Fibroblast growth factor 1/Fibroblast growth factor receptor 2 Inhibition nan % 10.1016/j.ejmech.2020.112656
Homo sapiens HEK293 Activity 49.01 % 10.1016/j.ejmech.2022.114491
Homo sapiens HEK293 Inhibition 48.01 % 10.1016/j.ejmech.2022.114162
Homo sapiens HeLa Activity 11.46 % 10.1016/j.ejmech.2022.114491
Homo sapiens HeLa Inhibition 28.66 % 10.1016/j.ejmech.2022.114162
Homo sapiens Heparanase IC50 26600.0 nM 10.1016/j.bmcl.2017.08.013
Homo sapiens Heparanase IC50 42000.0 nM 10.1016/j.ejmech.2020.112221
Homo sapiens Heparanase IC50 48000.0 nM 10.1016/j.ejmech.2016.05.052
Homo sapiens Heparanase IC50 48000.0 nM 10.1016/j.ejmech.2020.112221
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2018.06.001
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2018.07.064
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2020.112558
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2020.112668
Homo sapiens HepG2 CC50 100000.0 nM 10.1021/acsmedchemlett.9b00566
Homo sapiens HepG2 IC50 67400.0 nM 10.1016/j.bmcl.2020.127330
Homo sapiens HL-60 GI50 100000.0 nM 10.1016/j.bmcl.2021.128521
Homo sapiens HL-60 GI50 100000.0 nM 10.1016/j.ejmech.2019.03.061
Homo sapiens HL-60 GI50 100000.0 nM 10.1016/j.ejmech.2020.112900
Homo sapiens HL-60 MIC 100000.0 nM 10.1016/j.bmcl.2021.128521
Homo sapiens HSP60/HSP10 IC50 7200.0 nM 10.1016/j.bmcl.2019.02.028
Homo sapiens HSP60/HSP10 IC50 11000.0 nM 10.1016/j.bmcl.2016.09.051
Homo sapiens HSP60/HSP10 IC50 250000.0 nM 10.1016/j.bmcl.2016.09.051
Homo sapiens HUVEC Inhibition 51.9 % 10.1021/acs.jmedchem.5b01718
Homo sapiens HUVEC Inhibition 57.6 % 10.1021/acs.jmedchem.5b01718
Homo sapiens MCF7 IC50 154000.0 nM 10.1016/j.ejmech.2020.112656
Homo sapiens MRC5 EC50 64000.0 nM 10.1016/j.ejmech.2018.12.050
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 27.0 nM 10.1016/j.ejmech.2020.112201
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 35.0 nM 10.1016/j.ejmech.2020.112201
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 297.0 nM 10.1021/acs.jmedchem.2c00687
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 2800.0 nM 10.1021/acs.jmedchem.7b00533
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 6700.0 nM 10.1021/acsmedchemlett.8b00440
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 79.0 % 10.1016/j.bmcl.2017.01.088
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 79.0 % 10.1016/j.bmcl.2017.07.029
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 94.52 % 10.1016/j.bmc.2020.115961
Homo sapiens NAD-dependent deacetylase sirtuin 1 Inhibition 95.0 % 10.1016/j.ejmech.2020.112676
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 1150.0 nM 10.1021/acs.jmedchem.2c00687
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 2200.0 nM 10.1016/j.ejmech.2020.112201
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 5444.5 nM 10.1021/acs.jmedchem.1c01993
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 13000.0 nM 10.1021/acs.jmedchem.7b00533
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 14000.0 nM 10.1016/j.ejmech.2017.04.010
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 17000.0 nM 10.1021/acsmedchemlett.8b00440
Homo sapiens NAD-dependent deacetylase sirtuin 2 IC50 23300.0 nM 10.1016/j.ejmech.2020.112201
Homo sapiens NAD-dependent deacetylase sirtuin 2 Inhibition 31.0 % 10.1016/j.ejmech.2017.04.010
Homo sapiens NAD-dependent deacetylase sirtuin 2 Inhibition 72.0 % 10.1016/j.ejmech.2020.112676
Homo sapiens NAD-dependent deacetylase sirtuin 2 Inhibition 73.0 % 10.1016/j.ejmech.2017.04.010
Homo sapiens NAD-dependent deacetylase sirtuin 2 Inhibition 98.37 % 10.1016/j.bmc.2020.115961
Homo sapiens NAD-dependent deacetylase sirtuin 3 IC50 200000.0 nM 10.1021/acs.jmedchem.7b00533
Homo sapiens NAD-dependent deacetylase sirtuin 3 Inhibition 10.0 % 10.1016/j.ejmech.2020.112676
Homo sapiens NAD-dependent deacetylase sirtuin 3 Inhibition 96.82 % 10.1016/j.bmc.2020.115961
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 2730.0 nM 10.1016/j.ejmech.2020.112201
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 11000.0 nM 10.1016/j.ejmech.2020.112201
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 22000.0 nM 10.1016/j.ejmech.2022.114363
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 22000.0 nM 10.1021/acs.jmedchem.2c00687
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 23100.0 nM 10.1016/j.ejmech.2021.113803
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 23120.65 nM 10.1016/j.ejmech.2021.113803
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 28400.0 nM 10.1016/j.ejmech.2022.114623
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial IC50 46000.0 nM 10.1016/j.ejmech.2021.113803
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial Inhibition 53.0 % 10.1016/j.ejmech.2020.112676
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial Tm 51.0 degrees C 10.1016/j.ejmech.2022.114623
Homo sapiens P2X purinoceptor 1 IC50 4270.0 nM 10.1021/acs.jmedchem.5b01690
Homo sapiens P2X purinoceptor 1 IC50 4300.0 nM 10.1016/j.ejmech.2018.03.023
Homo sapiens P2X purinoceptor 1 Inhibition 40.0 % 10.1021/acs.jmedchem.0c00435
Homo sapiens P2X purinoceptor 1 Inhibition 90.0 % 10.1021/acs.jmedchem.0c00435
Homo sapiens P2X purinoceptor 2 IC50 13450.0 nM 10.1016/j.ejmech.2022.114162
Homo sapiens P2X purinoceptor 2 IC50 14050.0 nM 10.1016/j.ejmech.2022.114491
Homo sapiens P2X purinoceptor 2 IC50 nan None 10.1016/j.ejmech.2018.03.023
Homo sapiens P2X purinoceptor 2 IC50 nan None 10.1021/acs.jmedchem.5b01690
Homo sapiens P2X purinoceptor 3 IC50 nan None 10.1016/j.ejmech.2018.03.023
Homo sapiens P2X purinoceptor 3 IC50 nan None 10.1021/acs.jmedchem.5b01690
Homo sapiens P2X purinoceptor 4 IC50 4730.0 nM 10.1016/j.ejmech.2022.114491
Homo sapiens P2X purinoceptor 4 IC50 5640.0 nM 10.1016/j.ejmech.2022.114162
Homo sapiens P2X purinoceptor 4 IC50 nan None 10.1016/j.ejmech.2018.03.023
Homo sapiens P2X purinoceptor 4 IC50 nan None 10.1021/acs.jmedchem.5b01690
Homo sapiens P2X purinoceptor 5 IC50 15810.0 nM 10.1016/j.ejmech.2022.114491
Homo sapiens P2X purinoceptor 5 IC50 16070.0 nM 10.1016/j.ejmech.2022.114162
Homo sapiens P2X purinoceptor 7 IC50 33210.0 nM 10.1016/j.ejmech.2022.114162
Homo sapiens P2X purinoceptor 7 IC50 34820.0 nM 10.1016/j.ejmech.2022.114491
Homo sapiens P2X purinoceptor 7 IC50 35190.0 nM 10.1016/j.ejmech.2022.114491
Homo sapiens Protein argonaute-2 IC50 690.0 nM 10.1016/j.ejmech.2019.112008
Homo sapiens Protein-tyrosine phosphatase 1B IC50 1420.0 nM 10.1021/acs.jnatprod.8b00450
Homo sapiens Protein-tyrosine phosphatase 1B IC50 2900.0 nM 10.1021/acs.jnatprod.8b00227
Homo sapiens Protein-tyrosine phosphatase 1B IC50 10000.0 nM 10.1016/j.bmc.2019.115263
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition 64.3 % 10.1016/j.bmcl.2016.03.003
Homo sapiens Subtilisin/kexin type 9 FC 15.0 None 10.1016/j.bmcl.2018.02.046
Homo sapiens Subtilisin/kexin type 9 Kd 190000.0 nM 10.1016/j.ejmech.2018.11.011
Homo sapiens Thiosulfate sulfurtransferase IC50 100000.0 nM 10.1016/j.bmcl.2019.02.028
Homo sapiens Translin-associated protein X Inhibition 61.0 % 10.1016/j.bmcl.2016.09.019
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 IC50 5000.0 nM 10.1016/j.bmc.2016.09.045
Homo sapiens Tyrosyl-DNA phosphodiesterase 2 EC50 24000.0 nM 10.1016/j.bmc.2016.09.045
Leishmania infantum Putative silent information regulator 2 IC50 7000.0 nM 10.1021/acs.jmedchem.6b01595
Leishmania mexicana Pyruvate kinase Ki 116000.0 nM 10.1021/acs.jmedchem.1c00981
Mus musculus Ectonucleoside triphosphate diphosphohydrolase 1 IC50 100000.0 nM 10.1021/acs.jmedchem.0c01044
Mus musculus Heparanase Ki 48000.0 nM 10.1016/j.bmcl.2017.08.013
Rattus norvegicus Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 IC50 72000.0 nM 10.1039/C7MD00015D
Rattus norvegicus P2X purinoceptor 1 IC50 1000.0 nM 10.1021/acs.jmedchem.0c00435
Rattus norvegicus P2X purinoceptor 1 IC50 4680.0 nM 10.1021/acs.jmedchem.5b01690
Rattus norvegicus Rattus norvegicus Cmax 2300.0 nM 10.1016/j.ejmech.2018.03.048
Trypanosoma brucei Trypanosoma brucei EC50 4.0 nM 10.1016/j.bmcl.2020.127217
Trypanosoma brucei Trypanosoma brucei GI50 32.0 nM 10.1016/j.ejmech.2019.03.061
Trypanosoma brucei Trypanosoma brucei GI50 50.0 nM 10.1016/j.bmcl.2021.128521
Trypanosoma brucei Trypanosoma brucei IC50 4.0 nM 10.1016/j.bmcl.2018.03.039
Trypanosoma brucei Trypanosoma brucei IC50 20.0 nM 10.1016/j.bmc.2019.01.002
Trypanosoma brucei Trypanosoma brucei IC50 39.81 nM 10.1016/j.bmc.2019.06.026
Trypanosoma brucei Trypanosoma brucei IC50 39.81 nM 10.1021/acs.jmedchem.7b01670
Trypanosoma brucei Trypanosoma brucei IC50 180.0 nM 10.1016/j.bmc.2018.06.033
Trypanosoma brucei Trypanosoma brucei MIC 1000.0 nM 10.1016/j.bmcl.2021.128521
Trypanosoma brucei brucei Trypanosoma brucei brucei Activity 100.0 % 10.1016/j.ejmech.2017.11.075
Trypanosoma brucei brucei Trypanosoma brucei brucei Activity nan None 10.1016/j.ejmech.2017.11.075
Trypanosoma brucei brucei Trypanosoma brucei brucei Activity nan None 10.1016/j.ejmech.2018.03.048
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 28.0 nM 10.1016/j.ejmech.2019.112018
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 30.0 nM 10.1016/j.ejmech.2020.112558
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 30.0 nM 10.1016/j.ejmech.2020.112668
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 30.0 nM 10.1016/j.ejmech.2021.113290
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 30.0 nM 10.1021/acsmedchemlett.9b00566
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 40.0 nM 10.1021/acsmedchemlett.8b00245
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 50.0 nM 10.1016/j.ejmech.2018.12.050
Trypanosoma brucei brucei Trypanosoma brucei brucei EC50 78.0 nM 10.1016/j.ejmech.2020.112043
Trypanosoma brucei brucei Trypanosoma brucei brucei ED50 1.5 ug ml-1 10.1021/acs.jnatprod.6b01046
Trypanosoma brucei brucei Trypanosoma brucei brucei GI50 58.0 nM 10.1016/j.ejmech.2020.112900
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 0.007 ug.mL-1 10.1016/j.ejmech.2021.113319
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 0.094 ug.mL-1 10.1021/acs.jnatprod.1c00738
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 5.0 nM 10.1016/j.ejmech.2019.111827
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 5.0 nM 10.1016/j.ejmech.2021.113319
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 20.0 nM 10.1016/j.ejmech.2017.11.075
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 20.0 nM 10.1016/j.ejmech.2018.06.001
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 30.0 nM 10.1016/j.ejmech.2018.03.048
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 30.0 nM 10.1016/j.ejmech.2018.07.064
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 30.0 nM 10.1016/j.ejmech.2020.113101
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 30.0 nM 10.1021/acsmedchemlett.8b00347
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 38.0 nM 10.1021/acs.jmedchem.7b01672
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 66.0 nM 10.1016/j.bmc.2021.116253
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 199.53 nM 10.1016/j.ejmech.2017.09.067
Trypanosoma brucei brucei Trypanosoma brucei brucei MST 7.0 day 10.1016/j.ejmech.2018.03.048
Trypanosoma brucei brucei Trypanosoma brucei brucei MST 21.0 day 10.1016/j.ejmech.2017.11.075
Trypanosoma brucei gambiense Trypanosoma brucei gambiense IC50 0.092 ug.mL-1 10.1021/acs.jnatprod.1c00738
Trypanosoma brucei gambiense Trypanosoma brucei gambiense IC50 64.0 nM 10.1016/j.bmc.2021.116253
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense EC50 33.0 nM 10.1016/j.ejmech.2019.112018
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense EC50 40.0 nM 10.1016/j.ejmech.2018.12.050
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense EC50 40.0 nM 10.1016/j.ejmech.2021.113290
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 0.094 ug.mL-1 10.1021/acs.jnatprod.1c00738
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 0.11 ug.mL-1 10.1021/acs.jnatprod.1c00738
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 10.25 ug.mL-1 10.1021/acs.jnatprod.1c00738
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 20.0 nM 10.1016/j.ejmech.2016.02.028
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 20.0 nM 10.1016/j.ejmech.2017.11.075
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 30.0 nM 10.1016/j.bmc.2019.01.002
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 40.0 nM 10.1016/j.ejmech.2020.113101
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 46.0 nM 10.1021/acs.jmedchem.7b01870
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 76.0 nM 10.1016/j.bmc.2021.116253
Trypanosoma congolense Trypanosoma congolense IC50 7200.0 nM 10.1016/j.bmc.2021.116253
Trypanosoma evansi Trypanosoma evansi IC50 0.54 ug.mL-1 10.1021/acs.jnatprod.1c00738
Trypanosoma evansi Trypanosoma evansi IC50 380.0 nM 10.1016/j.bmc.2021.116253
Zika virus Genome polyprotein EC50 1930.0 nM 10.1016/j.bmcl.2020.126965
Zika virus Genome polyprotein IC50 47000.0 nM 10.1016/j.bmcl.2020.126965
Zika virus Genome polyprotein Kd 28000.0 nM 10.1016/j.bmcl.2020.126965
Zika virus Zika virus Activity nan None 10.1021/acs.jmedchem.9b00142
Zika virus Zika virus IC50 44020.0 nM 10.1021/acs.jmedchem.9b00142
None ADMET RatioGI50 2000.0 None 10.1016/j.bmcl.2021.128521
None ADMET Selectivity ratio 100.0 None 10.1016/j.bmcl.2021.128521
None Erythrocyte IC50 120000.0 nM 10.1016/j.bmcl.2018.03.079
None Erythrocyte IC50 180000.0 nM 10.1016/j.bmcl.2018.03.079
None NON-PROTEIN TARGET EC50 120.0 nM 10.1016/j.bmcl.2016.09.051
None NON-PROTEIN TARGET EC50 100000.0 nM 10.1016/j.bmcl.2016.09.051
None NON-PROTEIN TARGET IC50 38.0 nM 10.1016/j.ejmech.2016.04.047
None NON-PROTEIN TARGET IC50 1200.0 nM 10.1021/acs.jnatprod.6b00171
None NON-PROTEIN TARGET IC50 63000.0 nM 10.1016/j.bmcl.2016.09.051
None NON-PROTEIN TARGET Ka nan None 10.1021/acs.jmedchem.9b00142
None Unchecked Activity 11.56 % 10.1016/j.ejmech.2022.114491
None Unchecked IC50 25.0 nM 10.1016/j.ejmech.2020.112198
None Unchecked IC50 70.0 nM 10.1016/j.ejmech.2020.112198
None Unchecked IC50 240.0 nM 10.1021/acs.jmedchem.9b01452
None Unchecked IC50 538.0 nM 10.1016/j.ejmech.2020.112221
None Unchecked IC50 8700.0 nM 10.1016/j.bmc.2022.116788
None Unchecked IC50 63000.0 nM 10.1016/j.bmcl.2019.02.028
None Unchecked IC50 64000.0 nM 10.1016/j.ejmech.2017.11.075
None Unchecked Inhibition 30.61 % 10.1016/j.ejmech.2022.114162
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.9b00142
None Unchecked Ki 1100.0 nM 10.1021/acs.jmedchem.1c00981
None Unchecked Ki 108000.0 nM 10.1021/acs.jmedchem.1c00981
None Unchecked Ratio 76.0 None 10.1016/j.ejmech.2018.03.048
None Unchecked Ratio CC50/EC50 3333.0 None 10.1016/j.ejmech.2020.112668
None Unchecked Ratio CC50/EC50 3333.0 None 10.1021/acsmedchemlett.9b00566
None Unchecked Ratio CC50/IC50 3333.0 None 10.1016/j.ejmech.2018.07.064
None Unchecked Ratio EC50 1280.0 None 10.1016/j.ejmech.2018.12.050
None Unchecked Ratio EC50 1600.0 None 10.1016/j.ejmech.2018.12.050
None Unchecked Ratio EC50 nan None 10.1016/j.ejmech.2020.112043
None Unchecked RatioGI50 1724.0 None 10.1016/j.ejmech.2020.112900
None Unchecked RatioGI50 3125.0 None 10.1016/j.ejmech.2019.03.061
None Unchecked Selectivity Index 3333.0 None 10.1016/j.ejmech.2020.112558

Metabolism Information