Detailed information for compound 1945180

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1754.04 | Formula: C80H104N16O21S4
  • H donors: 19 H acceptors: 21 LogP: 0.03 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)N[C@H](C(=O)N2)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/C80H104N16O21S4/c1-7-47-32-50(117-6)25-26-51(47)48-23-21-46(22-24-48)31-57-71(107)86-53(20-14-19-44-15-10-8-11-16-44)69(105)87-55(29-43(2)3)70(106)92-62-40-119-118-38-60(85-64(98)36-83-68(104)54(27-28-65(99)100)95-79(116)80(4,5)96-67(103)52(81)33-49-35-82-42-84-49)75(111)89-56(30-45-17-12-9-13-18-45)72(108)93-61(39-120-121-41-63(78(114)115)94-77(62)113)76(112)91-59(37-97)74(110)90-58(34-66(101)102)73(109)88-57/h8-13,15-18,21-26,32,35,42-43,52-63,97H,7,14,19-20,27-31,33-34,36-41,81H2,1-6H3,(H,82,84)(H,83,104)(H,85,98)(H,86,107)(H,87,105)(H,88,109)(H,89,111)(H,90,110)(H,91,112)(H,92,106)(H,93,108)(H,94,113)(H,95,116)(H,96,103)(H,99,100)(H,101,102)(H,114,115)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
  • InChiKey: GXFXIFZWOSQDQY-HIQGHICLSA-N  

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

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 16000 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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