Detailed information for compound 1945179

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1768.06 | Formula: C81H106N16O21S4
  • H donors: 19 H acceptors: 21 LogP: 0.22 Rotable bonds: 34
    Rule of 5 violations (Lipinski): 4
  • SMILES: COc1ccc(c(c1)CC)c1ccc(cc1)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCc1ccccc1)CC(C)C)CSSC[C@@H](C(=O)NC(C(=O)N2)(C)Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](Cc1[nH]cnc1)N)(C)C)CCC(=O)O)C(=O)O
  • InChi: 1S/C81H106N16O21S4/c1-8-48-32-51(118-7)26-27-52(48)49-24-22-46(23-25-49)31-57-71(108)87-54(21-15-20-45-16-11-9-12-17-45)69(106)88-56(30-44(2)3)70(107)92-60-39-119-121-41-62(86-64(99)37-84-68(105)55(28-29-65(100)101)94-78(116)80(4,5)96-67(104)53(82)33-50-36-83-43-85-50)76(113)97-81(6,35-47-18-13-10-14-19-47)79(117)95-61(40-120-122-42-63(77(114)115)93-74(60)111)75(112)91-59(38-98)73(110)90-58(34-66(102)103)72(109)89-57/h9-14,16-19,22-27,32,36,43-44,53-63,98H,8,15,20-21,28-31,33-35,37-42,82H2,1-7H3,(H,83,85)(H,84,105)(H,86,99)(H,87,108)(H,88,106)(H,89,109)(H,90,110)(H,91,112)(H,92,107)(H,93,111)(H,94,116)(H,95,117)(H,96,104)(H,97,113)(H,100,101)(H,102,103)(H,114,115)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,81?/m0/s1
  • InChiKey: VZFTWBACYOLEIM-JJHRFMJFSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0188 0.0503
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0058 0.0028
Echinococcus multilocularis tubulin subunit TubB 0.0214 0.26 0.2571
Leishmania major beta tubulin 0.0297 0.3683 1
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Brugia malayi hypothetical protein 0.0057 0.0534 0.1443
Leishmania major trypanothione reductase 0.0055 0.0513 0.1299
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.1441 0.2181
Brugia malayi Tubulin alpha chain 0.0068 0.0681 0.1842
Loa Loa (eye worm) hypothetical protein 0.0348 0.4354 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0513 0.0737
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.034 0.0302
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.1441 0.2181
Schistosoma mansoni calcium-activated potassium channel 0.0348 0.4354 0.4332
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0058 0.0028
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0058 0.0028
Schistosoma mansoni hypothetical protein 0.0019 0.0039 0.0001
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0058 0.0028
Echinococcus multilocularis beta tubulin 0.0297 0.3683 0.3659
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0105 0.0277
Echinococcus granulosus tubulin beta 1 chain 0.0297 0.3683 0.3659
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0021 0.0058 0.0229
Toxoplasma gondii alpha tubulin TUBA1 0.0214 0.26 0.706
Giardia lamblia Delta tubulin 0.0068 0.0681 0.1759
Brugia malayi Thioredoxin reductase 0.0055 0.0513 0.1387
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.0834 0.1236
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0058 0.0028
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.034 0.0302
Loa Loa (eye worm) hypothetical protein 0.008 0.0834 0.191
Plasmodium vivax glutathione reductase, putative 0.0055 0.0513 0.1388
Echinococcus granulosus Tubulin beta 2C chain 0.0297 0.3683 0.3659
Giardia lamblia Epsilon tubulin 0.0068 0.0681 0.1759
Brugia malayi alpha-tubulin 0.0214 0.26 0.7058
Leishmania major beta tubulin 0.0297 0.3683 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0021 0.0058 0.0229
Echinococcus granulosus beta tubulin 0.0297 0.3683 0.3659
Leishmania major beta tubulin 0.0297 0.3683 1
Giardia lamblia Alpha-tubulin 0.0214 0.26 0.7028
Entamoeba histolytica tubulin alpha chain, putative 0.0214 0.26 0.6761
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0834 0.0799
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0156 0.1843 0.5004
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0021 0.0058 0.0229
Trichomonas vaginalis tubulin gamma chain, putative 0.0156 0.1843 0.4949
Echinococcus granulosus geminin 0.0191 0.2296 0.2266
Loa Loa (eye worm) alpha-tubulin 0.0214 0.26 0.597
Leishmania major beta tubulin 0.0297 0.3683 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0214 0.26 0.2571
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 0.2009 0.1978
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0513 0.1173
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.0834 1
Plasmodium vivax ataxin-2 like protein, putative 0.0057 0.0534 0.1443
Leishmania major hypothetical protein, conserved 0.0057 0.0534 0.1355
Loa Loa (eye worm) hypothetical protein 0.0041 0.0329 0.075
Leishmania major zeta tubulin, putative 0.0068 0.0681 0.1759
Brugia malayi Tubulin beta-1 chain 0.0297 0.3683 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0534 0.1355
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0058 0.0028
Trypanosoma cruzi tubulin delta chain 0.0068 0.0681 0.1759
Trypanosoma cruzi tubulin delta chain 0.0068 0.0681 0.1759
Trypanosoma brucei beta tubulin 0.0297 0.3683 1
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0834 0.2179
Entamoeba histolytica tubulin gamma chain 0.0156 0.1843 0.4496
Leishmania major beta tubulin 0.0297 0.3683 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0214 0.26 0.597
Echinococcus granulosus beta tubulin 0.0297 0.3683 0.3659
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0834 0.2179
Mycobacterium ulcerans beta-lactamase 0.008 0.0834 1
Giardia lamblia Beta tubulin 0.0297 0.3683 1
Mycobacterium tuberculosis Conserved protein 0.008 0.0834 0.1236
Echinococcus multilocularis tubulin subunit beta 0.0297 0.3683 0.3659
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.0834 0.0798
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0021 0.0058 0.0229
Echinococcus granulosus Tubulin beta 2C chain 0.0297 0.3683 0.3659
Trypanosoma brucei alpha tubulin 0.0214 0.26 0.7028
Echinococcus multilocularis tubulin alpha chain 0.0214 0.26 0.2571
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0058 0.0028
Schistosoma mansoni lamin 0.003 0.0188 0.015
Mycobacterium leprae conserved hypothetical protein 0.008 0.0834 0.495
Loa Loa (eye worm) beta-tubulin 0.0297 0.3683 0.8459
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0021 0.0058 0.0229
Mycobacterium ulcerans cell division protein FtsZ 0.0068 0.0681 0.8072
Trichomonas vaginalis tubulin, putative 0.0297 0.3683 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0214 0.26 0.2571
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Loa Loa (eye worm) beta-lactamase 0.008 0.0834 0.191
Toxoplasma gondii beta-1 tubulin, putative 0.0297 0.3683 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0442 0.1103
Echinococcus multilocularis Tubulin beta 2C chain 0.0297 0.3683 0.3659
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0021 0.0058 0.0229
Echinococcus multilocularis musashi 0.003 0.0188 0.015
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0021 0.0058 0.0229
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0066 0.0073
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0146 0.1709 0.392
Schistosoma mansoni hypothetical protein 0.0019 0.0039 0.0001
Trypanosoma brucei beta tubulin 0.0156 0.1843 0.4949
Loa Loa (eye worm) cytochrome P450 family protein 0.0065 0.0643 0.1471
Echinococcus granulosus tubulin beta 4A class IVa 0.0297 0.3683 0.3659
Plasmodium falciparum glutathione reductase 0.0055 0.0513 0.1299
Brugia malayi beta-lactamase family protein 0.008 0.0834 0.2258
Loa Loa (eye worm) hypothetical protein 0.0126 0.1442 0.3307
Echinococcus multilocularis tubulin alpha 1C chain 0.0214 0.26 0.2571
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0834 0.2179
Trypanosoma brucei alpha tubulin 0.0214 0.26 0.7028
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0021 0.0058 0.0229
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0105 0.0178
Echinococcus granulosus tubulin alpha chain 0.0214 0.26 0.2571
Echinococcus granulosus tubulin gamma 1 chain 0.0156 0.1843 0.1811
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.0388 0.0954
Loa Loa (eye worm) alpha-tubulin 0.0214 0.26 0.597
Brugia malayi Cytochrome P450 family protein 0.0021 0.0058 0.0151
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0513 0.1388
Schistosoma mansoni tubulin subunit beta 0.0297 0.3683 0.3659
Echinococcus multilocularis Tubulin beta 2C chain 0.0297 0.3683 0.3659
Mycobacterium ulcerans hypothetical protein 0.008 0.0834 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0021 0.0058 0.005
Trichomonas vaginalis tubulin epsilon chain, putative 0.0297 0.3683 1
Trypanosoma brucei beta tubulin 0.0297 0.3683 1
Leishmania major beta tubulin 0.0297 0.3683 1
Trypanosoma brucei PAB1-binding protein , putative 0.0057 0.0534 0.1355
Echinococcus granulosus intermediate filament protein 0.003 0.0188 0.015
Giardia lamblia Alpha-tubulin 0.0214 0.26 0.7028
Loa Loa (eye worm) hypothetical protein 0.008 0.0834 0.191
Loa Loa (eye worm) hypothetical protein 0.0267 0.3288 0.755
Echinococcus granulosus tubulin alpha chain 0.0214 0.26 0.2571
Leishmania major beta tubulin 0.0297 0.3683 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0297 0.3683 0.8459
Brugia malayi Tubulin alpha-2 chain 0.0214 0.26 0.7058
Trypanosoma brucei beta tubulin 0.0297 0.3683 1
Loa Loa (eye worm) tubulin beta chain 0.0068 0.0681 0.1559
Loa Loa (eye worm) tubulin alpha-3 chain 0.0126 0.1438 0.3299
Echinococcus granulosus tubulin alpha 1C chain 0.0214 0.26 0.2571
Entamoeba histolytica tubulin alpha-1 chain 0.0214 0.26 0.6761
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0503 0.1358
Trichomonas vaginalis tubulin gamma chain, putative 0.0156 0.1843 0.4949
Schistosoma mansoni tubulin subunit alpha 0.0068 0.0681 0.0645
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.0322 0.0734
Echinococcus multilocularis lamin dm0 0.003 0.0188 0.015
Plasmodium falciparum tubulin delta chain, putative 0.0068 0.0681 0.1759
Brugia malayi hypothetical protein 0.0267 0.3288 0.8926
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.004 0.0002
Leishmania major beta tubulin 0.0297 0.3683 1
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.3288 0.3262
Trichomonas vaginalis tubulin gamma chain, putative 0.0068 0.0681 0.1759
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0089 0.0951 0.2501
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.0834 0.0798
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0834 0.2179
Schistosoma mansoni calcium-activated potassium channel 0.0266 0.3283 0.3257
Trypanosoma brucei alpha tubulin 0.0214 0.26 0.7028
Loa Loa (eye worm) hypothetical protein 0.0176 0.2104 0.4828
Schistosoma mansoni hypothetical protein 0.0021 0.0058 0.002
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0021 0.0058 0.0229
Toxoplasma gondii alpha-tubulin I, putative 0.0214 0.26 0.706
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0681 0.1759
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.0834 0.191
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0068 0.0681 0.1759
Trichomonas vaginalis tubulin epsilon chain, putative 0.0297 0.3683 1
Echinococcus granulosus tubulin alpha 0.0156 0.1843 0.1811
Echinococcus multilocularis tubulin alpha 1C chain 0.0214 0.26 0.2571
Trichomonas vaginalis tubulin, putative 0.0068 0.0681 0.1759
Plasmodium falciparum tubulin epsilon chain, putative 0.0156 0.1843 0.4949
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0442 0.12
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.1441 0.2181
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.1441 0.2181
Mycobacterium tuberculosis Cell division protein FtsZ 0.0068 0.0681 0.0998
Mycobacterium leprae cell division protein FtsZ 0.0068 0.0681 0.3973
Trichomonas vaginalis esterase, putative 0.008 0.0834 0.2179
Echinococcus granulosus tubulin alpha chain 0.0214 0.26 0.2571
Brugia malayi tubulin alpha-2 chain 0.0214 0.26 0.7058
Echinococcus granulosus tubulin delta chain 0.0068 0.0681 0.0644
Echinococcus granulosus bloom syndrome protein 0.0024 0.0105 0.0066
Trichomonas vaginalis tubulin epsilon chain, putative 0.0214 0.26 0.7028
Trypanosoma brucei alpha tubulin 0.0214 0.26 0.7028
Trypanosoma cruzi epsilon tubulin, putative 0.0156 0.1843 0.4949
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0068 0.0681 0.1849
Brugia malayi beta-lactamase 0.008 0.0834 0.2258
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.0951 0.2501
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0058 0.0028
Trypanosoma brucei epsilon tubulin 0.0156 0.1843 0.4949
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0021 0.0058 0.0229
Loa Loa (eye worm) hypothetical protein 0.0057 0.0534 0.122
Loa Loa (eye worm) cytochrome P450 0.0021 0.0058 0.0127
Loa Loa (eye worm) hypothetical protein 0.008 0.0834 0.191
Schistosoma mansoni hypothetical protein 0.0191 0.2296 0.2267
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0058 0.0028
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.3288 0.3262
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0021 0.0058 0.005
Schistosoma mansoni lamin 0.003 0.0188 0.015
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.0388 0.0142
Trypanosoma cruzi beta tubulin, putative 0.0297 0.3683 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0058 0.0028
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0058 0.0028
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0058 0.005
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0126 0.1438 0.3838
Echinococcus granulosus lamin 0.003 0.0188 0.015
Echinococcus multilocularis Tubulin alpha 1 chain 0.0214 0.26 0.2571
Plasmodium falciparum alpha tubulin 1 0.0214 0.26 0.7028
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0021 0.0058 0.0229
Plasmodium falciparum tubulin gamma chain 0.0156 0.1843 0.4949
Trypanosoma brucei beta tubulin 0.0297 0.3683 1
Loa Loa (eye worm) tubulin alpha 2 0.0058 0.0546 0.1249
Brugia malayi cytochrome P450 0.0021 0.0058 0.0151
Schistosoma mansoni hypothetical protein 0.0348 0.4354 0.4332
Echinococcus granulosus tubulin alpha chain 0.0214 0.26 0.2571
Mycobacterium leprae Probable lipase LipE 0.008 0.0834 0.495
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0834 0.2179
Brugia malayi intermediate filament protein 0.003 0.0188 0.0503
Toxoplasma gondii LsmAD domain-containing protein 0.0057 0.0534 0.1449
Brugia malayi acetyltransferase, GNAT family protein 0.0169 0.2009 0.5451
Schistosoma mansoni tubulin subunit beta 0.0068 0.0681 0.0645
Leishmania major gamma-tubulin 0.0156 0.1843 0.4949
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0021 0.0058 0.005
Trichomonas vaginalis tubulin beta chain, putative 0.0089 0.0951 0.2501
Echinococcus multilocularis tubulin alpha chain 0.0214 0.26 0.2571
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0681 0.1759
Toxoplasma gondii beta-tubulin, putative 0.0297 0.3683 1
Schistosoma mansoni cytochrome P450 0.0021 0.0058 0.002
Brugia malayi Cytochrome P450 family protein 0.0041 0.0322 0.0867
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Leishmania major delta tubulin, putative 0.0068 0.0681 0.1759
Brugia malayi Cytochrome P450 family protein 0.0041 0.0322 0.0867
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0329 0.0887
Loa Loa (eye worm) glutathione reductase 0.0055 0.0513 0.1173
Echinococcus multilocularis beta tubulin 0.0297 0.3683 0.3659
Echinococcus multilocularis Tubulin alpha 1 chain 0.0214 0.26 0.2571
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0058 0.0028
Echinococcus granulosus alpha tubulin 0.0214 0.26 0.2571
Echinococcus granulosus Tubulin beta 2C chain 0.0297 0.3683 0.3659
Trypanosoma brucei tubulin delta chain 0.0068 0.0681 0.1759
Trypanosoma cruzi epsilon tubulin, putative 0.0156 0.1843 0.4949
Trichomonas vaginalis tubulin beta chain, putative 0.0214 0.26 0.7028
Echinococcus granulosus tubulin alpha 3 chain 0.0214 0.26 0.2571
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0123 0.0084
Loa Loa (eye worm) hypothetical protein 0.006 0.0579 0.1325
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0058 0.0028
Echinococcus multilocularis tubulin alpha chain 0.0214 0.26 0.2571
Trypanosoma brucei hypothetical protein, conserved 0.008 0.0834 0.2179
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0058 0.0028
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Loa Loa (eye worm) CYP4Cod1 0.0041 0.0322 0.0734
Echinococcus multilocularis tubulin alpha chain 0.0214 0.26 0.2571
Plasmodium falciparum alpha tubulin 2 0.0214 0.26 0.7028
Schistosoma mansoni hypothetical protein 0.0054 0.0503 0.0466
Loa Loa (eye worm) hypothetical protein 0.003 0.0188 0.0426
Leishmania major beta tubulin 0.0297 0.3683 1
Schistosoma mansoni intermediate filament proteins 0.003 0.0188 0.015
Leishmania major beta tubulin 0.0297 0.3683 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.1626 1
Trypanosoma cruzi alpha tubulin, putative 0.0214 0.26 0.7028
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0508 0.6465 1
Echinococcus granulosus Tubulin beta 2C chain 0.0297 0.3683 0.3659
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.004 0.0109
Echinococcus multilocularis lamin 0.003 0.0188 0.015
Echinococcus granulosus tubulin alpha 3 chain 0.0214 0.26 0.2571
Echinococcus multilocularis tubulin gamma 1 chain 0.0156 0.1843 0.1811
Trypanosoma brucei epsilon tubulin 0.0156 0.1843 0.4949
Schistosoma mansoni hypothetical protein 0.0025 0.0123 0.0085
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Brugia malayi glutathione reductase 0.0055 0.0513 0.1387
Leishmania major beta tubulin 0.0297 0.3683 1
Echinococcus granulosus lamin dm0 0.003 0.0188 0.015
Loa Loa (eye worm) tubulin alpha 2 0.0146 0.1709 0.392
Plasmodium vivax tubulin alpha chain, putative 0.0214 0.26 0.7058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0834 0.0799
Toxoplasma gondii ABC1 family protein 0.008 0.0834 0.2264
Trichomonas vaginalis tubulin beta chain, putative 0.0214 0.26 0.7028
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.004 0.0001
Leishmania major beta tubulin 0.0297 0.3683 1
Brugia malayi beta-lactamase family protein 0.008 0.0834 0.2258
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Onchocerca volvulus 0.0089 0.0951 0.3985
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.034 0.0303
Echinococcus granulosus Tubulin alpha 1 chain 0.0214 0.26 0.2571
Brugia malayi hypothetical protein 0.0042 0.034 0.0916
Echinococcus multilocularis hypothetical protein 0.0214 0.26 0.2571
Schistosoma mansoni hypothetical protein 0.0019 0.0039 0.0001
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.1441 0.2181
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.0834 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0156 0.1843 0.4949
Treponema pallidum cell division protein FtsZ 0.0068 0.0681 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0021 0.0058 0.0229
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0146 0.1709 0.458
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.004 0.0101
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0513 0.1299
Leishmania major hypothetical protein, conserved 0.008 0.0834 0.2179
Plasmodium vivax tubulin epsilon chain, putative 0.0156 0.1843 0.5001
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.0951 0.2501
Schistosoma mansoni tubulin subunit delta 0.0068 0.0681 0.0645
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.004 0.5
Trypanosoma brucei tubulin gamma chain 0.0156 0.1843 0.4949
Echinococcus granulosus tubulin alpha chain 0.0214 0.26 0.2571
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.0834 0.1236
Leishmania major beta tubulin 0.0297 0.3683 1
Leishmania major beta tubulin 0.0297 0.3683 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.0534 0.1355
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.1626 0.2468
Schistosoma mansoni alpha tubulin 0.0214 0.26 0.2572
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0058 0.0028
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.0834 0.2258
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0834 0.2179
Brugia malayi Tubulin beta chain 0.0068 0.0681 0.1842
Loa Loa (eye worm) hypothetical protein 0.0214 0.26 0.597
Giardia lamblia Beta tubulin 0.0297 0.3683 1
Trypanosoma brucei zeta tubulin 0.0068 0.0681 0.1759
Loa Loa (eye worm) tubulin alpha chain 0.0214 0.26 0.597
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.0951 0.2501
Plasmodium falciparum thioredoxin reductase 0.0055 0.0513 0.1299
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0021 0.0058 0.0229
Brugia malayi hypothetical protein 0.0176 0.2104 0.5708
Schistosoma mansoni alpha tubulin 0.0214 0.26 0.2572
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 0.2009 0.1978
Loa Loa (eye worm) hypothetical protein 0.003 0.0181 0.0409
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0039 0.0083
Trichomonas vaginalis tubulin, putative 0.0089 0.0951 0.2501
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.0087
Echinococcus multilocularis 0.0021 0.0058 0.0019
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Plasmodium falciparum tubulin beta chain 0.0297 0.3683 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0297 0.3683 0.8459
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0058 0.0158
Brugia malayi Tubulin beta chain 0.0089 0.0951 0.2577
Schistosoma mansoni tubulin subunit beta 0.0297 0.3683 0.3659
Echinococcus multilocularis tubulin epsilon chain 0.0156 0.1843 0.1811
Trypanosoma brucei alpha tubulin, putative 0.0089 0.0951 0.2501
Loa Loa (eye worm) hypothetical protein 0.008 0.0834 0.191
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0579 0.1567
Brugia malayi tubulin alpha chain - mouse 0.0214 0.26 0.7058
Echinococcus multilocularis tubulin delta chain 0.0068 0.0681 0.0644
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Entamoeba histolytica tubulin family protein 0.0297 0.3683 1
Schistosoma mansoni survival motor neuron protein 0.0054 0.0503 0.0466
Schistosoma mansoni hypothetical protein 0.0191 0.2296 0.2267
Schistosoma mansoni tubulin subunit beta 0.0297 0.3683 0.3659
Leishmania major cytochrome p450-like protein 0.0021 0.0058 0.005
Trypanosoma brucei epsilon tubulin 0.0156 0.1843 0.4949
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0058 0.0028
Loa Loa (eye worm) hypothetical protein 0.008 0.0834 0.191
Plasmodium vivax tubulin gamma chain, putative 0.0156 0.1843 0.5001
Loa Loa (eye worm) tubulin gamma chain 0.0156 0.1843 0.423
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0058 0.0028
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0021 0.0058 0.0229
Onchocerca volvulus 0.0176 0.2104 1
Echinococcus granulosus peroxisome assembly protein 26 0.0214 0.26 0.2571
Trichomonas vaginalis tubulin beta chain, putative 0.0214 0.26 0.7028
Echinococcus granulosus Tubulin beta 2C chain 0.0297 0.3683 0.3659
Leishmania major beta tubulin 0.0297 0.3683 1
Schistosoma mansoni tubulin subunit alpha 0.0214 0.26 0.2572
Trypanosoma cruzi cytochrome P450, putative 0.0041 0.0322 0.0774
Schistosoma mansoni tubulin subunit beta 0.0297 0.3683 0.3659
Brugia malayi hypothetical protein 0.0037 0.027 0.0725
Echinococcus multilocularis Tubulin alpha 1 chain 0.0214 0.26 0.2571
Echinococcus granulosus histone acetyltransferase KAT2B 0.0164 0.1947 0.1915
Trichomonas vaginalis tubulin beta chain, putative 0.0214 0.26 0.7028
Echinococcus granulosus tubulin epsilon chain 0.0156 0.1843 0.1811
Trichomonas vaginalis tubulin gamma chain, putative 0.0297 0.3683 1
Loa Loa (eye worm) tubulin alpha 2 0.0146 0.1709 0.392
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0068 0.0681 1
Trichomonas vaginalis tubulin, putative 0.0089 0.0951 0.2501
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0039 0.0099
Schistosoma mansoni tubulin subunit epsilon 0.0156 0.1843 0.1812
Onchocerca volvulus 0.008 0.0834 0.3372
Trypanosoma cruzi zeta tubulin, putative 0.0068 0.0681 0.1759
Echinococcus granulosus Tubulin alpha 1 chain 0.0214 0.26 0.2571
Leishmania major beta tubulin 0.0297 0.3683 1
Leishmania major cytochrome p450-like protein 0.0021 0.0058 0.005
Brugia malayi beta-tubulin, identical 0.0297 0.3683 1
Loa Loa (eye worm) tubulin alpha chain 0.0214 0.26 0.597
Trypanosoma brucei cytochrome P450, putative 0.0041 0.0322 0.0774
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0442 0.0404
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.0388 0.0954
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0123 0.0084
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0579 0.1567
Echinococcus granulosus tubulin subunit beta 0.0297 0.3683 0.3659
Mycobacterium tuberculosis Probable hydrolase 0.008 0.0834 0.1236
Mycobacterium ulcerans lipase LipD 0.008 0.0834 1
Onchocerca volvulus 0.008 0.0834 0.3372
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0442 0.1194
Trichomonas vaginalis tubulin alpha chain, putative 0.0297 0.3683 1
Echinococcus granulosus small conductance calcium activated potassium 0.0348 0.4354 0.4332
Schistosoma mansoni tubulin subunit beta 0.0297 0.3683 0.3659
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0058 0.0028
Trypanosoma cruzi tubulin gamma chain 0.0156 0.1843 0.4949
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0039 0.0099
Schistosoma mansoni tubulin subunit gamma 0.0156 0.1843 0.1812
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0105 0.0178
Mycobacterium tuberculosis Probable reductase 0.0126 0.1441 0.2181
Brugia malayi Tubulin alpha-2 chain 0.0214 0.26 0.7058
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0105 0.0066
Toxoplasma gondii thioredoxin reductase 0.0055 0.0513 0.1394
Echinococcus multilocularis Tubulin beta 2C chain 0.0297 0.3683 0.3659
Brugia malayi Cell division protein ftsZ 0.0068 0.0681 0.1842
Echinococcus multilocularis geminin 0.0191 0.2296 0.2266
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.0834 0.1236
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0513 0.0476
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.1626 0.2468
Loa Loa (eye worm) acetyltransferase 0.0169 0.2009 0.4611
Loa Loa (eye worm) BEN-1 protein 0.0297 0.3683 0.8459
Loa Loa (eye worm) hypothetical protein 0.0126 0.1438 0.3299
Loa Loa (eye worm) RecQ helicase 0.0024 0.0105 0.0234
Trichomonas vaginalis tubulin epsilon chain, putative 0.0068 0.0681 0.1759
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0834 0.2179
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0442 0.12
Echinococcus multilocularis tubulin alpha 0.0156 0.1843 0.1811
Schistosoma mansoni hypothetical protein 0.0019 0.0039 0.0001
Leishmania major beta tubulin 0.0297 0.3683 1
Schistosoma mansoni tubulin subunit beta 0.0297 0.3683 0.3659
Schistosoma mansoni tubulin subunit alpha 0.0214 0.26 0.2572
Plasmodium vivax tubulin alpha chain, putative 0.0214 0.26 0.7058
Plasmodium vivax tubulin beta chain, putative 0.0297 0.3683 1
Schistosoma mansoni alpha tubulin 0.0214 0.26 0.2572
Plasmodium vivax hypothetical protein, conserved 0.008 0.0834 0.2259
Toxoplasma gondii beta tubulin 0.0297 0.3683 1
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0058 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.0083
Entamoeba histolytica tubulin family protein 0.0297 0.3683 1
Plasmodium vivax delta tubulin, putative 0.0068 0.0681 0.1843
Echinococcus multilocularis tubulin alpha 3 chain 0.0214 0.26 0.2571
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0058 0.0028
Trichomonas vaginalis tubulin beta chain, putative 0.0214 0.26 0.7028
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0214 0.26 0.7028
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0534 0.1355
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.004 0.0109
Onchocerca volvulus 0.0054 0.0503 0.1643
Echinococcus multilocularis tubulin alpha chain 0.0214 0.26 0.2571
Trypanosoma cruzi zeta tubulin, putative 0.0068 0.0681 0.1759
Onchocerca volvulus 0.008 0.0834 0.3372
Echinococcus multilocularis Tubulin beta 2C chain 0.0297 0.3683 0.3659
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0021 0.0058 0.0229
Loa Loa (eye worm) hypothetical protein 0.002 0.0053 0.0115
Schistosoma mansoni tubulin subunit alpha 0.0214 0.26 0.2572
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0058 0.005
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0188 0.0426
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.1626 0.2468
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.0834 0.1236
Trichomonas vaginalis tubulin beta chain, putative 0.0214 0.26 0.7028
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0513 0.0476
Loa Loa (eye worm) hypothetical protein 0.014 0.1631 0.3741
Brugia malayi Tubulin gamma chain 0.0156 0.1843 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.068 0.1557
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0126 0.1441 0.8824
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.0322 0.0734
Trypanosoma brucei zeta tubulin, putative 0.0068 0.0681 0.1759
Loa Loa (eye worm) hypothetical protein 0.008 0.0834 0.191
Loa Loa (eye worm) tubulin beta-1 chain 0.0297 0.3683 0.8459
Schistosoma mansoni hypothetical protein 0.0042 0.034 0.0303
Trichomonas vaginalis tubulin beta chain, putative 0.0297 0.3683 1
Mycobacterium tuberculosis Conserved protein 0.008 0.0834 0.1236
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.0834 0.1236
Mycobacterium tuberculosis Conserved protein 0.008 0.0834 0.1236
Echinococcus multilocularis Tubulin beta 2C chain 0.0297 0.3683 0.3659
Leishmania major cytochrome p450-like protein 0.0041 0.0322 0.0774
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.0834 0.1236
Trypanosoma brucei trypanothione reductase 0.0055 0.0513 0.1299
Loa Loa (eye worm) tubulin beta chain 0.0297 0.3683 0.8459
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.0534 0.1355
Echinococcus multilocularis small conductance calcium activated potassium 0.0348 0.4354 0.4332
Leishmania major epsilon tubulin, putative 0.0156 0.1843 0.4949
Echinococcus granulosus Tubulin alpha 1 chain 0.0214 0.26 0.2571
Brugia malayi Tubulin alpha chain 0.0214 0.26 0.7058
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.004 0.0102
Leishmania major alpha tubulin 0.0214 0.26 0.7028
Echinococcus granulosus tubulin subunit TubB 0.0214 0.26 0.2571
Echinococcus granulosus tubulin alpha 1C chain 0.0214 0.26 0.2571
Loa Loa (eye worm) BEN-1 protein 0.0297 0.3683 0.8459
Leishmania major beta tubulin 0.0297 0.3683 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0058 0.0028
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0068 0.0681 0.1849
Giardia lamblia Beta tubulin 0.0297 0.3683 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0021 0.0058 0.0229
Brugia malayi Cytochrome P450 family protein 0.0065 0.0643 0.1739
Loa Loa (eye worm) hypothetical protein 0.0146 0.1709 0.392
Echinococcus multilocularis tubulin beta 1 chain 0.0297 0.3683 0.3659
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.004 0.0001
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.004 0.0102
Giardia lamblia Gamma tubulin 0.0156 0.1843 0.4949
Trichomonas vaginalis tubulin epsilon chain, putative 0.0214 0.26 0.7028
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0442 0.1103
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0021 0.0058 0.0229
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0041 0.0322 0.3552
Schistosoma mansoni hypothetical protein 0.0041 0.0329 0.0292
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0297 0.3683 0.3659
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0021 0.0058 0.0229
Trypanosoma cruzi cytochrome P450, putative 0.0041 0.0322 0.0774
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0579 0.1325
Loa Loa (eye worm) intermediate filament protein 0.003 0.0188 0.0426
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0021 0.0058 0.0229
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0021 0.0058 0.0229

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 1600 nM Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins ChEMBL. 26352676

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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