Detailed information for compound 1674240

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 3051.46 | Formula: C127H188N36O40S6
  • H donors: 38 H acceptors: 40 LogP: -10.81 Rotable bonds: 50
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC(C[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H]4NC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]5N(C1=O)CCC5)C(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC(=O)N)[C@H](O)C)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CSSC4)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CCC1)Cc1c[nH]c2c1cccc2)CCC(=O)O)[C@H](O)C)Cc1ccccc1)[C@H](O)C)[C@H](O)C)C
  • InChi: 1S/C127H188N36O40S6/c1-57(2)38-74-123(200)161-35-20-29-86(161)116(193)155-97(58(3)4)118(195)150-79-52-205-206-53-80-112(189)157-101(63(10)167)122(199)153-82-55-207-204-51-78(134-45-77(60(7)164)149-107(184)70(31-32-95(176)177)140-91(172)48-138-105(79)182)109(186)144-71(39-65-22-13-12-14-23-65)103(180)136-46-90(171)135-47-94(175)154-99(61(8)165)120(197)152-81(110(187)146-73(42-89(129)170)108(185)159-102(64(11)168)126(203)163-37-18-27-84(163)114(191)139-50-93(174)142-80)54-208-209-56-83(113(190)158-100(62(9)166)121(198)143-69(26-17-33-132-127(130)131)106(183)145-72(41-88(128)169)104(181)137-49-92(173)141-74)151-119(196)98(59(5)6)156-117(194)87-30-21-36-162(87)124(201)75(40-66-44-133-68-25-16-15-24-67(66)68)148-115(192)85-28-19-34-160(85)125(202)76(43-96(178)179)147-111(82)188/h12-16,22-25,44,57-64,69-87,97-102,133-134,164-168H,17-21,26-43,45-56H2,1-11H3,(H2,128,169)(H2,129,170)(H,135,171)(H,136,180)(H,137,181)(H,138,182)(H,139,191)(H,140,172)(H,141,173)(H,142,174)(H,143,198)(H,144,186)(H,145,183)(H,146,187)(H,147,188)(H,148,192)(H,149,184)(H,150,195)(H,151,196)(H,152,197)(H,153,199)(H,154,175)(H,155,193)(H,156,194)(H,157,189)(H,158,190)(H,159,185)(H,176,177)(H,178,179)(H4,130,131,132)/t60-,61-,62-,63-,64-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,97+,98+,99+,100+,101+,102+/m1/s1
  • InChiKey: XIIXGSLOVPMUHO-SYZCISFVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0015 0.0012 0.0017
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0036 0.005
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0015 0.0012 0.0017
Brugia malayi thymidylate synthase 0.1564 0.5637 0.7839
Schistosoma mansoni hypothetical protein 0.0459 0.1625 0.226
Brugia malayi isocitrate dehydrogenase 0.0018 0.0021 0.0029
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.0012 0.0017
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0043 0.006
Echinococcus multilocularis geminin 0.019 0.0648 0.0901
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.021 0.072 0.2644
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0103 0.0144
Brugia malayi nuclear receptor NHR-88 0.0015 0.0012 0.0017
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0018 0.0023 0.0023
Chlamydia trachomatis dihydrofolate reductase 0.1992 0.7192 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0.0043 0.006
Leishmania major pteridine reductase 1 0.0428 0.1511 0.1511
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0018 0.0023 0.0031
Loa Loa (eye worm) thymidylate synthase 0.1564 0.5637 0.7839
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2765 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0074 0.0103
Schistosoma mansoni multidrug resistance protein 0.0038 0.0096 0.0133
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.021 0.072 0.2644
Echinococcus multilocularis thyroid hormone receptor alpha 0.0015 0.0012 0.0017
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0036 0.0036
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0015 0.0012 0.0017
Echinococcus granulosus FTZ F1 alpha 0.0015 0.0012 0.0017
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0021 0.0021
Schistosoma mansoni beta-hexosaminidase B 0.0568 0.202 0.2809
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0018 0.0023 0.0031
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0018 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Schistosoma mansoni dihydropteridine reductase 0.0018 0.0023 0.0031
Plasmodium vivax basic transcription factor 3b, putative 0.0039 0.0099 0.0078
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0018 0.0023 0.0031
Brugia malayi hypothetical protein 0.0744 0.2659 0.3697
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0018 0.0023 0.0001
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0065 0.0192 0.0642
Echinococcus multilocularis survival motor neuron protein 1 0.0266 0.0921 0.1281
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.0029
Brugia malayi hypothetical protein 0.0028 0.006 0.0083
Brugia malayi photoreceptor-specific nuclear receptor 0.0015 0.0012 0.0017
Trypanosoma brucei transcription factor BTF3, putative 0.0039 0.0099 0.0099
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0018 0.0023 0.0031
Echinococcus granulosus beta hexosaminidase subunit alpha 0.0355 0.1246 0.1732
Entamoeba histolytica transcription factor BTF3, putative 0.0039 0.0099 0.0384
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0018 0.0023 0.0031
Echinococcus granulosus beta hexosaminidase subunit beta 0.0568 0.202 0.2809
Trypanosoma brucei membrane transporter protein, putative 0.0038 0.0096 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0015 0.0012 0.0017
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Mycobacterium tuberculosis Possible oxidoreductase 0.0018 0.0023 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Echinococcus granulosus dnaJ subfamily B 0.0459 0.1625 0.226
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0043 0.006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0015 0.0012 0.0017
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0018 0.0023 0.0001
Loa Loa (eye worm) hypothetical protein 0.0028 0.006 0.0083
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0099 0.0099
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0015 0.0012 0.0017
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0018 0.0023 0.0023
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.021 0.072 0.2644
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0023 0.0031
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0038 0.0096 0.0133
Leishmania major hypothetical protein, conserved 0.0038 0.0096 0.0096
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.0029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0103 0.0144
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0015 0.0012 0.0017
Schistosoma mansoni hypothetical protein 0.0058 0.0168 0.0233
Echinococcus granulosus geminin 0.019 0.0648 0.0901
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.0012 0.0017
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0038 0.0096 0.0133
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1992 0.7192 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0021 0.0021
Echinococcus multilocularis FTZ F1 alpha 0.0015 0.0012 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0099 0.0291
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1564 0.5637 0.7839
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0099 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0015 0.0012 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.0012 0.0017
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0568 0.202 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0015 0.0012 0.0017
Schistosoma mansoni hypothetical protein 0.019 0.0648 0.0901
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1564 0.5637 0.7839
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0018 0.0023 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0015 0.0012 0.0017
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0018 0.0023 0.0031
Schistosoma mansoni hypothetical protein 0.0013 0.0003 0.0004
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.006 0.006
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0018 0.0023 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0015 0.0012 0.0017
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.021 0.072 0.1001
Trichomonas vaginalis beta-hexosaminidase, putative 0.0355 0.1246 0.464
Schistosoma mansoni cpg binding protein 0.0032 0.0074 0.0103
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0021 0.0021
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0018 0.0023 0.0031
Brugia malayi nuclear hormone receptor 0.0015 0.0012 0.0017
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0132 0.0436 0.0606
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0018 0.0023 0.0031
Mycobacterium ulcerans thymidylate synthase 0.1564 0.5637 0.7839
Loa Loa (eye worm) hypothetical protein 0.0056 0.0158 0.022
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2765 1 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.021 0.072 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Loa Loa (eye worm) hypothetical protein 0.0132 0.0436 0.0606
Echinococcus granulosus survival motor neuron protein 1 0.0266 0.0921 0.1281
Brugia malayi Cytochrome P450 family protein 0.0022 0.0036 0.005
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.021 0.072 0.2644
Schistosoma mansoni cpg binding protein 0.0034 0.0081 0.0112
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0021 0.0021
Entamoeba histolytica hypothetical protein 0.004 0.0103 0.0405
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0015 0.0012 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0096 0.0096
Brugia malayi hypothetical protein 0.004 0.0103 0.0144
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Schistosoma mansoni thyroid hormone receptor 0.0015 0.0012 0.0017
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0179 0.0179
Toxoplasma gondii NAC domain-containing protein 0.0039 0.0099 0.0099
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0018 0.0023 0.0001
Loa Loa (eye worm) oxidoreductase 0.0018 0.0023 0.0031
Brugia malayi ecdysteroid receptor 0.0015 0.0012 0.0017
Loa Loa (eye worm) dihydrofolate reductase 0.1992 0.7192 1
Schistosoma mansoni survival motor neuron protein 0.0054 0.0153 0.0213
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0003 0.0004
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.006 0.006
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.006 0.006
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0015 0.0012 0.0017
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0018 0.0023 0.0031
Onchocerca volvulus 0.0032 0.0074 0.0109
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.0012 0.0017
Schistosoma mansoni steroid hormone receptor ad4bp 0.0015 0.0012 0.0017
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0018 0.0023 0.0023
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0021 0.0029
Trichomonas vaginalis beta-hexosaminidase, putative 0.0132 0.0436 0.1567
Entamoeba histolytica hypothetical protein 0.004 0.0103 0.0405
Echinococcus granulosus tumor protein p63 0.0379 0.1335 0.1857
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.021 0.072 0.1001
Echinococcus multilocularis tumor protein p63 0.0379 0.1335 0.1857
Brugia malayi dihydrofolate reductase family protein 0.1992 0.7192 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0015 0.0012 0.0017
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0015 0.0012 0.0017
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0024 0.0043 0.0043
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0015 0.0012 0.0017
Mycobacterium tuberculosis Possible oxidoreductase 0.0018 0.0023 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0036 0.0036
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0018 0.0023 0.0031
Entamoeba histolytica protein tyrosine phosphatase, putative 0.021 0.072 0.349
Brugia malayi Cytochrome P450 family protein 0.0022 0.0036 0.005
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2765 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0096 0.0096
Brugia malayi Steroid receptor seven-up type 2 0.0015 0.0012 0.0017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0153 0.0213
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0205 0.0285
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0012 0.0017
Trypanosoma cruzi membrane transporter protein, putative 0.0038 0.0096 0.0096
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0568 0.202 0.2809
Echinococcus multilocularis beta hexosaminidase subunit beta 0.0568 0.202 0.2809
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.0029
Mycobacterium ulcerans oxidoreductase 0.0018 0.0023 0.0031
Echinococcus granulosus transcription factor btf3 0.0039 0.0099 0.0138
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0568 0.202 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0015 0.0012 0.0017
Brugia malayi beta-NAC-like protein 0.0039 0.0099 0.0138
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0096 0.0096
Leishmania major hypothetical protein, conserved 0.0038 0.0096 0.0096
Schistosoma mansoni coup transcription factor 0.0015 0.0012 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0192 0.0192
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0192 0.0192
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0012 0.0017
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.021 0.072 0.2644
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0015 0.0012 0.0017
Plasmodium falciparum basic transcription factor 3b, putative 0.0039 0.0099 0.0078
Onchocerca volvulus 0.0054 0.0153 0.0251
Entamoeba histolytica hypothetical protein 0.004 0.0103 0.0405
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0012 0.0017
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0043 0.006
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.006 0.0038
Loa Loa (eye worm) retinol dehydrogenase 12 0.0018 0.0023 0.0031
Loa Loa (eye worm) hypothetical protein 0.0132 0.0436 0.0606
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0024 0.0043 0.0043
Echinococcus granulosus dihydrofolate reductase 0.1992 0.7192 1
Mycobacterium tuberculosis Hypothetical protein 0.0744 0.2659 0.3697
Echinococcus granulosus thymidylate synthase 0.1564 0.5637 0.7839
Leishmania major oxidoreductase-like protein 0.0024 0.0043 0.0043
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0018 0.0023 0.0031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0018 0.0023 0.0031
Schistosoma mansoni cpg binding protein 0.0034 0.0081 0.0112
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0145 0.0485 0.0674
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Echinococcus multilocularis dihydrofolate reductase 0.1992 0.7192 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0031
Trichomonas vaginalis beta-hexosaminidase, putative 0.0355 0.1246 0.464
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1992 0.7192 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0012 0.0017
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Echinococcus multilocularis cpg binding protein 0.0034 0.0081 0.0112
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0018 0.0023 0.0023
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0015 0.0012 0.0017
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Echinococcus multilocularis transcription factor btf3 0.0039 0.0099 0.0138
Brugia malayi steroid hormone receptor 0.0015 0.0012 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0096 0.0096
Schistosoma mansoni thyroid hormone receptor 0.0015 0.0012 0.0017
Echinococcus multilocularis thymidylate synthase 0.1564 0.5637 0.7839
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0015 0.0012 0.0017
Brugia malayi hypothetical protein 0.0018 0.0023 0.0032
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2765 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0021 0.0029
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0018 0.0023 0.0031
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0099 0.0291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0015 0.0012 0.0017
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0021 0.0029
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0015 0.0012 0.0017
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1564 0.5637 0.7839
Plasmodium falciparum enoyl-acyl carrier reductase 0.0018 0.0023 0.0001
Leishmania major basic transcription factor 3a, putative 0.0039 0.0099 0.0099
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0099 0.0099
Loa Loa (eye worm) glycosyl hydrolase family 20 0.0568 0.202 0.2809
Trypanosoma brucei membrane transporter protein, putative 0.0038 0.0096 0.0096
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.0012 0.0017
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0021 0.0021
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0018 0.0023 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0015 0.0012 0.0017
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0036 0.005
Schistosoma mansoni transcription factor btf3 0.0039 0.0099 0.0138
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0018 0.0023 0.0023
Entamoeba histolytica protein tyrosine phosphatase, putative 0.021 0.072 0.349
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0017
Schistosoma mansoni hypothetical protein 0.019 0.0648 0.0901
Trypanosoma brucei MATE efflux family protein, putative 0.0038 0.0096 0.0096
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0023 0.0031
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0744 0.2659 0.2659
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0018 0.0023 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0015 0.0012 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0012 0.0017
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Leishmania major cytochrome p450-like protein 0.0022 0.0036 0.0036
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit 0.0568 0.202 1
Entamoeba histolytica hypothetical protein 0.0039 0.0099 0.0384
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.006 0.006
Leishmania major hypothetical protein, conserved 0.0065 0.0192 0.0192
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0021 0.0029
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0018 0.0023 0.0031
Schistosoma mansoni dihydrofolate reductase 0.1992 0.7192 1
Onchocerca volvulus Hexosaminidase D homolog 0.0132 0.0436 0.0753
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.021 0.072 0.2644
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0018 0.0023 0.0031
Loa Loa (eye worm) steroid hormone receptor 0.0015 0.0012 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0744 0.2659 1
Onchocerca volvulus 0.0024 0.0043 0.0054
Trichomonas vaginalis beta-hexosaminidase, putative 0.0355 0.1246 0.464
Loa Loa (eye worm) ICD-1 protein 0.0039 0.0099 0.0138
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0018 0.0023 0.0023
Onchocerca volvulus 0.0018 0.0023 0.0018
Loa Loa (eye worm) hypothetical protein 0.0266 0.0921 0.1281
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0018 0.0023 0.0031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Brugia malayi Dihydrofolate reductase 0.1992 0.7192 1
Entamoeba histolytica hypothetical protein 0.004 0.0103 0.0405
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0035 0.0084 0.0116
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.006 0.0038
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0018 0.0023 0.0031
Echinococcus multilocularis ecdysone induced protein 78C 0.0015 0.0012 0.0017
Onchocerca volvulus 0.0056 0.0158 0.026
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0036 0.005
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1992 0.7192 1
Onchocerca volvulus 0.1564 0.5637 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0015 0.0012 0.0017
Brugia malayi hypothetical protein 0.0266 0.0921 0.1281
Leishmania major hypothetical protein, conserved 0.0028 0.006 0.006
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.0355 0.1246 0.1732
Schistosoma mansoni retinoic acid receptor RXR 0.0015 0.0012 0.0017
Trypanosoma brucei oxidoreductase-like protein 0.0024 0.0043 0.0043
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0015 0.0012 0.0017
Schistosoma mansoni hypothetical protein 0.0054 0.0153 0.0213
Mycobacterium ulcerans short chain dehydrogenase 0.0018 0.0023 0.0031
Schistosoma mansoni beta-hexosaminidase B 0.0568 0.202 0.2809
Echinococcus granulosus cpg binding protein 0.0034 0.0081 0.0112
Echinococcus multilocularis dnaJ subfamily B 0.0459 0.1625 0.226
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0018 0.0023 0.0031
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0021 0.0021
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0021 0.0029
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.006 0.0038
Schistosoma mansoni hypothetical protein 0.004 0.0103 0.0144
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0065 0.0192 0.0642
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0003 0.0004
Brugia malayi CXXC zinc finger family protein 0.0032 0.0074 0.0103
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0132 0.0436 0.0606
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0036 0.0036
Onchocerca volvulus 0.021 0.072 0.1258
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.0012 0.0017
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0036 0.005
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0024 0.0043 0.006
Schistosoma mansoni RAR-like nuclear receptor 0.0015 0.0012 0.0017
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0018 0.0023 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0015 0.0012 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0012 0.0017
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0355 0.1246 0.464
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0015 0.0012 0.0017
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit 0.0568 0.202 1
Trypanosoma brucei membrane transporter protein, putative 0.0038 0.0096 0.0096
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0018 0.0023 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0015 0.0012 0.0017
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0103 0.0144
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.021 0.072 0.1001
Trypanosoma brucei pteridine reductase 1 0.0422 0.149 0.149
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0065 0.0192 0.0192
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0018 0.0023 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2765 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.0012 0.0017
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0158 0.022
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0021 0.0021

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.6 uM Cytotoxicity against human U937/GTB cells after 72 hrs by fluorometric microculture cytotoxicity assay ChEMBL. 21434649

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21434649

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.