Detailed information for compound 595218

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 557.129 | Formula: C32H37ClN6O
  • H donors: 1 H acceptors: 4 LogP: 5.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1cccc(c1)n1cccn1)NC1CCC(CC1)CCN1CCc2c(CC1)ccc(c2)c1nccnc1.Cl
  • InChi: 1S/C32H36N6O.ClH/c39-32(28-3-1-4-30(22-28)38-17-2-14-35-38)36-29-9-5-24(6-10-29)11-18-37-19-12-25-7-8-27(21-26(25)13-20-37)31-23-33-15-16-34-31;/h1-4,7-8,14-17,21-24,29H,5-6,9-13,18-20H2,(H,36,39);1H
  • InChiKey: QUROFXOETIUEGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0466 0.0464
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.062 1
Brugia malayi hypothetical protein 0.0014 0.0121 0.0287
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0121 0.0118
Echinococcus granulosus geminin 0.0178 0.3694 0.3692
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0466 0.1105
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0442 0.1054
Brugia malayi intermediate filament protein 0.0054 0.0989 0.2355
Brugia malayi hypothetical protein 0.0014 0.0121 0.0287
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0466 0.0493
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.1164 0.1162
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.06 0.519
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0121 0.0118
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0536 0.102
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0025 0.0356 0.0646
Loa Loa (eye worm) hypothetical protein 0.0025 0.0358 0.0848
Loa Loa (eye worm) hypothetical protein 0.0026 0.038 0.09
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0121 0.0287
Loa Loa (eye worm) hypothetical protein 0.0094 0.1857 0.4418
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0466 0.0464
Echinococcus multilocularis 0.0011 0.0046 0.0043
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Brugia malayi ecdysone receptor 0.0014 0.0121 0.0287
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0121 0.0287
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0466 0.0493
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.3942 0.9387
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.8581 0.8581
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.12 0.1198
Loa Loa (eye worm) hypothetical protein 0.0036 0.06 0.1424
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Echinococcus granulosus tar DNA binding protein 0.0189 0.3942 0.3941
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0466 0.0493
Mycobacterium tuberculosis Conserved protein 0.0036 0.06 0.1154
Onchocerca volvulus 0.0036 0.06 0.5521
Schistosoma mansoni ferritin 0.0025 0.0356 0.0363
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1118 0.1256
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0239 0.0563
Brugia malayi RNA binding protein 0.0189 0.3942 0.9388
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0239 0.1808
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0536 0.8839
Echinococcus multilocularis GPCR, family 2 0.0064 0.12 0.1198
Onchocerca volvulus 0.0036 0.06 0.5521
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0466 0.0464
Loa Loa (eye worm) hypothetical protein 0.0016 0.0158 0.037
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1114 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.062 0.538
Schistosoma mansoni transient receptor potential channel 0.0062 0.1164 0.1311
Loa Loa (eye worm) cytochrome P450 0.0011 0.0046 0.0103
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.062 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0466 0.0464
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0121 0.0118
Echinococcus multilocularis lamin dm0 0.0054 0.0989 0.0987
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0978 0.8733
Loa Loa (eye worm) hypothetical protein 0.0016 0.0158 0.037
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0014 0.0121 0.0088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0466 0.1105
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.06 0.923
Brugia malayi beta-lactamase family protein 0.0036 0.06 0.1429
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0121 0.0118
Brugia malayi cytochrome P450 0.0011 0.0046 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0466 0.111
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0466 0.111
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1114 0.1251
Loa Loa (eye worm) beta-lactamase 0.0036 0.06 0.1424
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.06 0.1154
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0466 0.0464
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0466 0.111
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.06 0.519
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0466 0.0464
Schistosoma mansoni hypothetical protein 0.0064 0.12 0.1352
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0121 0.0287
Schistosoma mansoni ferritin light chain 0.0025 0.0356 0.0363
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.12 0.2854
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0466 0.111
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.06 0.0649
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0466 0.111
Schistosoma mansoni zinc finger protein 0.0014 0.0121 0.0088
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0006
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.1789 0.1787
Mycobacterium ulcerans hypothetical protein 0.0036 0.06 0.519
Brugia malayi nuclear receptor RXR 0.0014 0.0121 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0466 0.111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0818 0.0905
Schistosoma mansoni cpg binding protein 0.003 0.0463 0.0488
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.1164 0.1162
Echinococcus granulosus neuropeptide receptor A26 0.0467 1 1
Brugia malayi Latrophilin receptor protein 2 0.0064 0.12 0.2858
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1114 1
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0466 0.3981
Brugia malayi steroid hormone receptor 0.003 0.0466 0.111
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.06 0.1154
Brugia malayi conserved hypotetical protein 0.0014 0.0121 0.0287
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0121 0.0287
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0989 0.2351
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0466 0.0464
Loa Loa (eye worm) RNA binding protein 0.0189 0.3942 0.9387
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0121 0.0118
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0466 0.0464
Brugia malayi TAR-binding protein 0.0189 0.3942 0.9388
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Schistosoma mansoni coup transcription factor 0.003 0.0466 0.0493
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Schistosoma mansoni ferritin 0.0025 0.0356 0.0363
Toxoplasma gondii ABC1 family protein 0.0036 0.06 0.519
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.038 0.0378
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0466 0.111
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0466 0.1105
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3942 0.4565
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.06 0.0598
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3942 0.4565
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.06 0.923
Loa Loa (eye worm) hypothetical protein 0.0016 0.0158 0.037
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.062 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0158 0.0131
Brugia malayi nuclear receptor RXR 0.0016 0.0158 0.0375
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.1789 0.1787
Loa Loa (eye worm) hypothetical protein 0.0059 0.1096 0.2606
Brugia malayi tailless protein 0.0014 0.0121 0.0287
Brugia malayi nuclear receptor NHR-88 0.003 0.0466 0.111
Brugia malayi nuclear hormone receptor 0.003 0.0466 0.111
Brugia malayi Inositol-1 0.0037 0.062 0.1477
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0989 0.2355
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0466 0.111
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.12 0.1198
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1114 0.2224
Loa Loa (eye worm) hypothetical protein 0.0201 0.4199 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.12 0.2854
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0025 0.0356 0.5594
Schistosoma mansoni ferritin 0.0025 0.0356 0.0363
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0466 0.111
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0818 0.0816
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0121 0.0118
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.4199 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.06 0.519
Brugia malayi beta-lactamase family protein 0.0036 0.06 0.1429
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0121 0.0088
Brugia malayi beta-lactamase 0.0036 0.06 0.1429
Brugia malayi Cytochrome P450 family protein 0.002 0.0239 0.0569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0466 0.1105
Brugia malayi nuclear receptor NHR-67 0.0014 0.0121 0.0287
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0466 0.0464
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.0036 0.06 0.1424
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0466 0.0493
Loa Loa (eye worm) inositol-1 0.0037 0.062 0.1472
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.06 0.9645
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0466 0.0493
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.062 0.538
Brugia malayi Cytochrome P450 family protein 0.002 0.0239 0.0569
Loa Loa (eye worm) hypothetical protein 0.0053 0.0967 0.2299
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.0046 0.0043
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.062 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0428 0.1013
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.06 0.923
Schistosoma mansoni lamin 0.0054 0.0989 0.1105
Leishmania major cytochrome p450-like protein 0.002 0.0239 0.1808
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.1164 0.1162
Schistosoma mansoni transient receptor potential channel 0.0062 0.1164 0.1311
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0466 0.1105
Loa Loa (eye worm) hypothetical protein 0.0036 0.06 0.1424
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Schistosoma mansoni lamin 0.0054 0.0989 0.1105
Schistosoma mansoni hypothetical protein 0.0178 0.3694 0.4274
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.4199 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.06 0.1424
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0466 0.111
Loa Loa (eye worm) TAR-binding protein 0.0189 0.3942 0.9387
Loa Loa (eye worm) hypothetical protein 0.0054 0.0989 0.2351
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Schistosoma mansoni hypothetical protein 0.0402 0.8581 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.06 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0466 0.1105
Schistosoma mansoni hypothetical protein 0.0064 0.12 0.1352
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0466 0.0493
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.3942 0.9388
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0121 0.0118
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0121 0.0287
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0239 0.336
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0818 0.1949
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.062 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0818 0.0905
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0121 0.0282
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.06 0.1429
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.06 0.0649
Schistosoma mansoni ferritin 0.0025 0.0356 0.0363
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Schistosoma mansoni intermediate filament proteins 0.0054 0.0989 0.1105
Treponema pallidum bacterioferrin (TpF1) 0.0025 0.0356 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0121 0.0118
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.1857 0.1855
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.1857 0.1855
Loa Loa (eye worm) hypothetical protein 0.0036 0.06 0.1424
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.062 1
Schistosoma mansoni thyroid hormone receptor 0.003 0.0466 0.0493
Brugia malayi ecdysteroid receptor 0.003 0.0466 0.111
Brugia malayi nuclear hormone receptor 0.0014 0.0121 0.0287
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0158 0.0131
Schistosoma mansoni hypothetical protein 0.0138 0.2811 0.324
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.06 0.9645
Onchocerca volvulus 0.0036 0.06 0.5521
Trichomonas vaginalis esterase, putative 0.0036 0.06 0.923
Echinococcus granulosus expressed protein 0.0025 0.0356 0.0354
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1114 1
Echinococcus granulosus intermediate filament protein 0.0054 0.0989 0.0987
Echinococcus granulosus ferritin 0.0025 0.0356 0.0354
Echinococcus granulosus lamin dm0 0.0054 0.0989 0.0987
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.0572 0.057
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0466 0.0464
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0158 0.0155
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0466 0.0464
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0466 0.1105
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1114 0.1112
Loa Loa (eye worm) hypothetical protein 0.0032 0.0504 0.1196
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0121 0.0282
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0466 0.0464
Mycobacterium tuberculosis Conserved protein 0.0036 0.06 0.1154
Echinococcus multilocularis neuropeptide s receptor 0.0467 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0818 0.0816
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0466 0.0464
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0466 0.1105
Schistosoma mansoni hypothetical protein 0.0178 0.3694 0.4274
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0025 0.0356 0.0646
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0121 0.0118
Schistosoma mansoni cpg binding protein 0.003 0.0463 0.0488
Mycobacterium ulcerans bacterioferritin BfrA 0.0025 0.0356 0.2903
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.1857 0.2122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0466 0.0464
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.062 1
Echinococcus multilocularis cpg binding protein 0.003 0.0463 0.046
Brugia malayi hypothetical protein 0.0016 0.0158 0.0375
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.062 0.538
Brugia malayi CXXC zinc finger family protein 0.0028 0.0428 0.1018
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0158 0.0155
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1114 1
Echinococcus multilocularis lamin 0.0054 0.0989 0.0987
Leishmania major hypothetical protein, conserved 0.0036 0.06 0.519
Loa Loa (eye worm) hypothetical protein 0.0016 0.0158 0.037
Echinococcus multilocularis tar DNA binding protein 0.0189 0.3942 0.3941
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0466 0.1105
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.06 0.1154
Schistosoma mansoni inositol monophosphatase 0.0037 0.062 0.0673
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.06 0.923
Loa Loa (eye worm) hypothetical protein 0.0138 0.2811 0.6692
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0239 0.0563
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0466 0.111
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0466 0.111
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.06 0.9645
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0158 0.037
Echinococcus granulosus FTZ F1 alpha 0.003 0.0466 0.0464
Schistosoma mansoni inositol monophosphatase 0.0037 0.062 0.0673
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0121 0.0118
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0466 0.3981
Brugia malayi hypothetical protein 0.0016 0.0158 0.0375
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.06 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3942 0.4565
Brugia malayi nuclear receptor NHR-88 0.0014 0.0121 0.0287
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0466 0.0493
Loa Loa (eye worm) DR-78 0.0014 0.0121 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0466 0.111
Schistosoma mansoni cpg binding protein 0.0028 0.0428 0.0447
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0466 0.111
Echinococcus multilocularis neuropeptide receptor A26 0.0467 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.06 0.923
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3942 0.4565
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.4847 1
Schistosoma mansoni ferritin light chain 0.0025 0.0356 0.0363
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.1164 0.1162
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.12 0.1198
Mycobacterium ulcerans lipase LipD 0.0036 0.06 0.519
Mycobacterium tuberculosis Conserved protein 0.0036 0.06 0.1154
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0239 0.336
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0121 0.0282
Schistosoma mansoni thyroid hormone receptor 0.003 0.0466 0.0493
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Schistosoma mansoni tar DNA-binding protein 0.0189 0.3942 0.4565
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.062 0.0618
Mycobacterium leprae Probable lipase LipE 0.0036 0.06 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.06 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0466 0.0464
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0818 0.1944
Echinococcus multilocularis expressed protein 0.0025 0.0356 0.0354
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0466 0.0493
Loa Loa (eye worm) hypothetical protein 0.0035 0.0572 0.1358
Echinococcus multilocularis geminin 0.0178 0.3694 0.3692
Schistosoma mansoni apoferritin-2 0.0025 0.0356 0.0363
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0121 0.0118
Loa Loa (eye worm) hypothetical protein 0.0014 0.0121 0.0282
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.0572 0.057
Schistosoma mansoni apoferritin-2 0.0025 0.0356 0.0363
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0121 0.0287
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.06 0.1154
Echinococcus granulosus GPCR family 2 0.0064 0.12 0.1198
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0466 0.111
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0466 0.111
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.12 0.2858
Brugia malayi Cytochrome P450 family protein 0.0011 0.0046 0.0109
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.06 0.1154
Echinococcus granulosus lamin 0.0054 0.0989 0.0987
Schistosoma mansoni nuclear receptor nhr-48 0.0014 0.0121 0.0088
Echinococcus granulosus cpg binding protein 0.003 0.0463 0.046
Onchocerca volvulus 0.003 0.0466 0.3981
Onchocerca volvulus 0.0054 0.0989 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.4199 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1114 0.1112
Brugia malayi Cytochrome P450 family protein 0.003 0.0466 0.111
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0818 0.0816
Loa Loa (eye worm) hypothetical protein 0.0025 0.0358 0.0848
Schistosoma mansoni hypothetical protein 0.0064 0.12 0.1352
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1114 1
Echinococcus multilocularis ferritin 0.0025 0.0356 0.0354
Echinococcus multilocularis musashi 0.0054 0.0989 0.0987
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0466 0.0493
Echinococcus granulosus dnaJ subfamily B 0.0402 0.8581 0.8581
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0466 0.0464
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0121 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0818 0.0905
Trypanosoma brucei cytochrome P450, putative 0.002 0.0239 0.336
Schistosoma mansoni hypothetical protein 0.0064 0.12 0.1352
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0121 0.0118
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0014 0.0121 0.0088
Loa Loa (eye worm) hypothetical protein 0.0036 0.06 0.1424
Brugia malayi latrophilin 2 splice variant baaae 0.0138 0.2811 0.6694
Mycobacterium ulcerans bacterioferritin BfrB 0.0025 0.0356 0.2903
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.06 0.1154
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0989 0.2351
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0466 0.3981
Schistosoma mansoni nuclear receptor 0.0014 0.0121 0.0088
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1114 0.1251
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0466 0.0464
Brugia malayi Transient-receptor-potential like protein 0.0035 0.0572 0.1363
Loa Loa (eye worm) CYP4Cod1 0.002 0.0239 0.0563
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.038 0.0378
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0818 0.0816
Loa Loa (eye worm) hypothetical protein 0.0016 0.0158 0.037
Schistosoma mansoni transient receptor potential channel 0.0094 0.1857 0.2122
Schistosoma mansoni nuclear hormone receptor 0.003 0.0466 0.0493
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.06 0.0598
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.12 0.1198
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0442 0.1049
Loa Loa (eye worm) hypothetical protein 0.003 0.0466 0.1105
Onchocerca volvulus 0.0028 0.0428 0.3536
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.06 0.1424
Schistosoma mansoni nuclear receptor 0.0014 0.0121 0.0088
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.062 0.0618
Onchocerca volvulus 0.0054 0.0989 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 1 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 7.38 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 8.56 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 10.16 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 23 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 93 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 5.3 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 1 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 23 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 93 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.05 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.89876 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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