Detailed information for compound 1129980

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.489 | Formula: C20H30N6O5
  • H donors: 4 H acceptors: 7 LogP: 0.42 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H]([C@@H](C(=O)N(C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)CCn1nnc(n1)c1ccccc1)O)N)C
  • InChi: 1S/C20H30N6O5/c1-3-12(2)16(21)20(29)25(30)11-15-18(28)17(27)14(31-15)9-10-26-23-19(22-24-26)13-7-5-4-6-8-13/h4-8,12,14-18,27-28,30H,3,9-11,21H2,1-2H3/t12-,14-,15+,16-,17-,18+/m0/s1
  • InChiKey: QGQKSIGEHDBHND-ZPUCZNJJSA-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 multilocularis nuclear receptor 2DBD gamma 0.002 0.0158 0.0146
Loa Loa (eye worm) GMP reductase 0.0147 0.1585 0.4028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0417 0.0406
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0267 0.0664
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0202 0.0529
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.0158 0.0374
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0417 0.0406
Schistosoma mansoni coup transcription factor 0.0043 0.0417 0.1047
Brugia malayi CBS domain containing protein 0.0021 0.0164 0.0389
Entamoeba histolytica hypothetical protein 0.0039 0.0366 0.3196
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0216 0.0523
Brugia malayi nuclear hormone receptor family member odr-7 0.002 0.0158 0.0375
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0353 0.3917 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.1839 0.4677
Loa Loa (eye worm) hypothetical protein 0.0106 0.1128 0.2859
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0417 0.1047
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0286
Schistosoma mansoni cpg binding protein 0.0061 0.0612 0.1547
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0012 0.0006
Mycobacterium tuberculosis Conserved protein 0.0021 0.0164 0.0418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0417 0.1037
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0417 0.1038
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0021 0.0164 0.0418
Echinococcus multilocularis protein patched 0.0046 0.0442 0.0431
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0216 0.0523
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0216 0.0523
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0202 0.8104
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0008 0.0012 0.0011
Loa Loa (eye worm) hypothetical protein 0.0033 0.0301 0.074
Echinococcus granulosus Niemann Pick C1 protein 0.0152 0.1644 0.4179
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0202 0.0518
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.1128 0.2859
Echinococcus multilocularis Niemann Pick C1 protein 0.0152 0.1644 0.1634
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0267 0.0664
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0485 0.1212
Schistosoma mansoni hypothetical protein 0.0044 0.0424 0.1064
Echinococcus granulosus GPCR family 2 0.0054 0.0532 0.1331
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.023 0.0874
Brugia malayi CXXC zinc finger family protein 0.0061 0.0612 0.1538
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0186 0.0455
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0442 0.1103
Schistosoma mansoni hypothetical protein 0.0054 0.0532 0.134
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0147 0.1585 0.4029
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0012 0.0006
Loa Loa (eye worm) hypothetical protein 0.0026 0.0216 0.0523
Schistosoma mansoni hypothetical protein 0.0054 0.0532 0.134
Brugia malayi Flap endonuclease-1 0.0025 0.0211 0.051
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0442 0.1103
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0021 0.0164 0.0418
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0216 0.0523
Loa Loa (eye worm) DR-78 0.002 0.0158 0.0374
Brugia malayi nuclear receptor NHR-67 0.002 0.0158 0.0375
Loa Loa (eye worm) chloride channel 3 0.0021 0.0164 0.0389
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0417 0.1037
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.0417 0.1047
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.002 0.0158 0.0384
Brugia malayi Pre-SET motif family protein 0.0202 0.2212 0.5634
Entamoeba histolytica hypothetical protein 0.0039 0.0366 0.3196
Brugia malayi hypothetical protein 0.0023 0.0186 0.0446
Trypanosoma cruzi chloride channel protein, putative 0.0021 0.0164 0.0389
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0008 0.0012 0.0036
Schistosoma mansoni ran 0.0024 0.0202 0.0497
Treponema pallidum Mg2+ transport protein (mgtE) 0.0021 0.0164 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0216 0.0523
Mycobacterium ulcerans cystathionine beta-synthase 0.0021 0.0164 0.0389
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0211 0.0199
Loa Loa (eye worm) hypothetical protein 0.0056 0.0559 0.14
Mycobacterium ulcerans transcriptional regulator 0.0021 0.0164 0.0389
Onchocerca volvulus 0.0021 0.0164 0.0605
Trichomonas vaginalis set domain proteins, putative 0.023 0.2526 1
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0021 0.0164 0.0389
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0267 0.0655
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.0336
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.1128 0.2859
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0532 0.0521
Loa Loa (eye worm) hypothetical protein 0.0026 0.0216 0.0523
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0151 0.0356
Plasmodium falciparum importin beta, putative 0.0033 0.0301 0.0798
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0417 0.1038
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.0417 0.1037
Schistosoma mansoni hypothetical protein 0.0353 0.3918 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Schistosoma mansoni thyroid hormone receptor 0.0043 0.0417 0.1047
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0012 0.003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0445
Brugia malayi tailless protein 0.002 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0043 0.0417 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.0417 0.1038
Brugia malayi nuclear hormone receptor family member nhr-6 0.002 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0211 0.0798
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0186 0.0455
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0021 0.0164 0.0418
Entamoeba histolytica Ran family GTPase 0.0024 0.0202 0.1733
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0417 0.1038
Echinococcus multilocularis snurportin 1 0.0353 0.3918 0.3911
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0485 0.1221
Schistosoma mansoni hypothetical protein 0.0054 0.0532 0.134
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0216 0.0523
Leishmania major guanosine monophosphate reductase 0.0353 0.3917 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0021 0.0164 0.0418
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.002 0.0158 0.0384
Loa Loa (eye worm) hypothetical protein 0.0021 0.0164 0.0389
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0216 0.0523
Entamoeba histolytica hypothetical protein 0.0039 0.0366 0.3196
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0012 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.0417 0.1037
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0143 0.0368
Schistosoma mansoni cpg binding protein 0.0064 0.0652 0.1647
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Schistosoma mansoni ran 0.0024 0.0202 0.0497
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0442 0.1718
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0216 0.0523
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0021 0.0164 0.0152
Loa Loa (eye worm) hypothetical protein 0.0116 0.1234 0.3129
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0131 0.0335
Echinococcus multilocularis protein dispatched 1 0.0052 0.0515 0.0504
Schistosoma mansoni hypothetical protein 0.0044 0.0424 0.1064
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0241 0.0586
Brugia malayi ancient conserved domain protein 4 0.0021 0.0164 0.0389
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0169 0.1839 0.4678
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0169 0.1839 0.4677
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Brugia malayi nuclear receptor RXR 0.0023 0.0186 0.0446
Echinococcus granulosus snurportin 1 0.0353 0.3918 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0131 0.0335
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.0158 0.0374
Schistosoma mansoni cpg binding protein 0.0064 0.0652 0.1647
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0043 0.0417 0.0406
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0353 0.3917 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.0417 0.1037
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.023 0.0559
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0043 0.0417 0.1612
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0211 0.051
Brugia malayi loechrig isoform VII 0.0021 0.0164 0.0389
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0186 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Onchocerca volvulus 0.0043 0.0417 0.1612
Schistosoma mansoni nuclear receptor nhr-48 0.002 0.0158 0.0384
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0109 0.0249
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.023 0.0874
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0532 0.1331
Trypanosoma cruzi chloride channel protein, putative 0.0021 0.0164 0.0389
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.0158 0.0146
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.0417 0.1038
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0043 0.0417 0.1037
Schistosoma mansoni nuclear receptor 0.002 0.0158 0.0384
Echinococcus granulosus H:Cl exchange transporter 7 0.0021 0.0164 0.0389
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0532 0.1331
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0216 0.0523
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0216 0.0523
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0216 0.0523
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0021 0.0164 0.0389
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0485 0.1212
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0353 0.3917 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0037 0.0075
Brugia malayi hypothetical protein 0.0023 0.0186 0.0446
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 0.3918 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0532 0.1331
Trichomonas vaginalis importin beta-1, putative 0.0027 0.023 0.0874
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.1238 0.3139
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0202 0.0487
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.0417 0.1038
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0021 0.0164 0.0389
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.1128 0.1118
Schistosoma mansoni nuclear receptor 0.002 0.0158 0.0384
Schistosoma mansoni hypothetical protein 0.0054 0.0532 0.134
Schistosoma mansoni hypothetical protein 0.0044 0.0424 0.1064
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0021 0.0164 0.0418
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0021 0.0164 0.0152
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0021 0.0164 0.0389
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0353 0.3917 0.391
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.003
Brugia malayi ecdysone receptor 0.002 0.0158 0.0375
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0417 0.1038
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2212 0.5633
Loa Loa (eye worm) hypothetical protein 0.0046 0.0442 0.1103
Schistosoma mansoni chloride channel protein 0.0021 0.0164 0.0399
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0109 0.0249
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0021 0.0164 0.0152
Entamoeba histolytica hypothetical protein 0.0027 0.023 0.1983
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0211 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0532 0.1331
Brugia malayi hypothetical protein 0.002 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.0054 0.0532 0.1331
Brugia malayi orphan nuclear receptor NR2E1 0.002 0.0158 0.0375
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0043 0.0417 0.1037
Schistosoma mansoni hypothetical protein 0.0116 0.1234 0.3136
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0612 0.1538
Leishmania major hypothetical protein, conserved 0.0021 0.0164 0.0389
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.0417 0.1037
Onchocerca volvulus 0.0026 0.0216 0.0813
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0202 0.0487
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.002 0.0158 0.0146
Loa Loa (eye worm) hypothetical protein 0.0026 0.0216 0.0523
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0143 0.0336
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0301 0.0289
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0353 0.3917 1
Onchocerca volvulus 0.003 0.0267 0.1017
Echinococcus granulosus expressed conserved protein 0.01 0.1056 0.2672
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0216 0.186
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0021 0.0164 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0151 0.0139
Echinococcus granulosus importin subunit beta 1 0.0033 0.0301 0.074
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0211 0.051
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0021 0.0164 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.0417 0.1037
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0366 0.0355
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0353 0.3917 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0216 0.0552
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.0417 0.1047
Trypanosoma brucei GMP reductase 0.0353 0.3917 1
Schistosoma mansoni patched 1 0.0046 0.0442 0.1112
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Loa Loa (eye worm) chloride channel protein 7 0.0021 0.0164 0.0389
Loa Loa (eye worm) hypothetical protein 0.0021 0.0164 0.0389
Plasmodium falciparum protein MAM3, putative 0.0021 0.0164 0.0425
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0186 0.0174
Brugia malayi ecdysteroid receptor 0.0043 0.0417 0.1038
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.0417 0.1038
Brugia malayi RNA, U transporter 1 0.0094 0.099 0.2505
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0417 0.1047
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0216 0.0523
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0353 0.3917 0.9999
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.0417 0.1038
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.0417 0.1047
Trypanosoma cruzi chloride channel protein, putative 0.0021 0.0164 0.0389
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0021 0.0164 0.0399
Mycobacterium ulcerans hypothetical protein 0.0026 0.0216 0.0523
Trypanosoma cruzi GMP reductase 0.0353 0.3917 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0211 0.051
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.0417 0.1038
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.002 0.0158 0.0375
Echinococcus granulosus cpg binding protein 0.0064 0.0652 0.1638
Echinococcus multilocularis expressed conserved protein 0.01 0.1056 0.1045
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0043 0.0417 0.0406
Trypanosoma cruzi Domain of unknown function DUF21, putative 0.0021 0.0164 0.0389
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0216 0.186
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0021 0.0164 0.0389
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.0336
Trichomonas vaginalis ran, putative 0.0024 0.0202 0.0762
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0485 0.1221
Toxoplasma gondii CBS family protein 0.0021 0.0164 0.0389
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0532 0.1331
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0186 0.2022 0.5147
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0012 0.003
Brugia malayi steroid hormone receptor 0.0043 0.0417 0.1038
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0211 0.051
Leishmania major CBS domain protein, conserved 0.0021 0.0164 0.0389
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.002 0.0158 0.0374
Schistosoma mansoni importin beta-1 0.0033 0.0301 0.0749
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.003
Plasmodium vivax importin-beta 2, putative 0.0033 0.0301 0.0787
Loa Loa (eye worm) nuclear receptor nhr-7B 0.002 0.0158 0.0374
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0301 0.074
Trypanosoma cruzi GMP reductase 0.0353 0.3917 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.1128 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0043 0.0417 0.0406
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0216 0.0523
Toxoplasma gondii CBS domain-containing protein 0.0021 0.0164 0.0389
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Loa Loa (eye worm) hypothetical protein 0.0021 0.0164 0.0389
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0012 0.003
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0143 0.0358
Schistosoma mansoni nuclear hormone receptor 0.002 0.0158 0.0384
Trypanosoma brucei AMP-activated protein kinase, gamma regulatory subunit 0.0021 0.0164 0.0389
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.0286
Echinococcus multilocularis FTZ F1 alpha 0.0043 0.0417 0.0406
Loa Loa (eye worm) hypothetical protein 0.003 0.0267 0.0655
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0442 0.1103
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.0417 0.1037
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0211 0.1813
Brugia malayi hypothetical protein 0.002 0.0158 0.0375
Schistosoma mansoni chloride channel protein 0.0021 0.0164 0.0399
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0186 0.2022 0.5162
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0216 0.0552
Echinococcus granulosus nuclear receptor nhr 48 0.002 0.0158 0.0374
Brugia malayi chloride channel protein 7 0.0021 0.0164 0.0389
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0445
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0012 0.003
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.002 0.0158 0.0582
Loa Loa (eye worm) loechrig isoform VII 0.0021 0.0164 0.0389
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0267 0.0655
Onchocerca volvulus 0.023 0.2526 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.0417 0.1047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.0417 0.1037
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0131 0.0335
Brugia malayi nuclear receptor NHR-88 0.0043 0.0417 0.1038
Chlamydia trachomatis Mg++ transporter 0.0021 0.0164 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0012 0.003
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.0417 0.1038
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0202 0.0487
Trypanosoma brucei Voltage-gated Chloride channel Like 3 0.0021 0.0164 0.0389
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0168 0.1822 0.4635
Onchocerca volvulus Protein ultraspiracle homolog 0.0043 0.0417 0.1612
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0485 0.1221
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0202 0.0487
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0109 0.0259
Leishmania major chloride channel protein, putative 0.0021 0.0164 0.0389
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0417 0.1038
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0485 0.1212
Toxoplasma gondii CBS domain-containing protein 0.0021 0.0164 0.0389
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0043 0.0417 0.1037
Echinococcus granulosus H:Cl exchange transporter 4 0.0021 0.0164 0.0389
Schistosoma mansoni mixed-lineage leukemia protein mll 0.013 0.1393 0.3543
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0485 0.1212
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0186 0.0445
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0021 0.0164 0.0399
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0366 0.0907
Echinococcus multilocularis cpg binding protein 0.0064 0.0652 0.0641
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0286
Schistosoma mansoni hypothetical protein 0.0039 0.0366 0.0916
Loa Loa (eye worm) hypothetical protein 0.0021 0.0164 0.0389
Brugia malayi hypothetical protein 0.0039 0.0366 0.0907
Onchocerca volvulus Bile acid receptor homolog 0.0043 0.0417 0.1612
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0168 0.1822 0.4635
Onchocerca volvulus Putative GMP reductase 0.0147 0.1585 0.6258
Brugia malayi CHE-14 protein 0.0046 0.0442 0.1103
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0445
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0332 0.368 0.9393
Trichomonas vaginalis helicase, putative 0.0014 0.0082 0.0286
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0021 0.0164 0.0389
Schistosoma mansoni hypothetical protein 0.0044 0.0424 0.1064
Schistosoma mansoni nuclear hormone receptor 0.002 0.0158 0.0384
Loa Loa (eye worm) IMP dehydrogenase 1 0.0353 0.3917 0.9999
Loa Loa (eye worm) nuclear hormone receptor 0.002 0.0158 0.0374
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0202 0.0487
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0353 0.3917 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0043 0.0417 0.1037
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0109 0.0097
Leishmania major inosine-5-monophosphate dehydrogenase 0.0353 0.3917 1
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0164 0.0389
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.0336
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Brugia malayi Importin beta-1 subunit 0.0033 0.0301 0.074
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0445
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0216 0.0523
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0267 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0332 0.368 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0353 0.3917 1
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0021 0.0164 0.0152
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.0417 0.1047
Leishmania major importin beta-1 subunit, putative 0.0027 0.023 0.0559
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.0158 0.0146
Schistosoma mansoni chloride channel protein 0.0021 0.0164 0.0399
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0485 0.0474
Trypanosoma cruzi chloride channel protein, putative 0.0021 0.0164 0.0389
Loa Loa (eye worm) nuclear receptor NHR-67 0.002 0.0158 0.0374
Brugia malayi Pre-SET motif family protein 0.003 0.0267 0.0655
Onchocerca volvulus 0.0061 0.0612 0.2389
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0158 0.0374
Loa Loa (eye worm) hypothetical protein 0.0043 0.0417 0.1037
Echinococcus granulosus thyroid hormone receptor alpha 0.002 0.0158 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0417 0.1038
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0148 0.0349
Brugia malayi conserved hypotetical protein 0.002 0.0158 0.0375
Schistosoma mansoni zinc finger protein 0.002 0.0158 0.0384
Brugia malayi CLC chloride channel protein 0.0021 0.0164 0.0389
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.002 0.0158 0.0582
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0021 0.0164 0.0152
Mycobacterium tuberculosis Conserved protein 0.0021 0.0164 0.0418
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0353 0.3917 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0109 0.0097
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0216 0.186
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.0417 0.1038
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0202 0.0487
Treponema pallidum hemolysin (tlyC) 0.0021 0.0164 0.5
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0332 0.368 1
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0211 0.051
Echinococcus multilocularis thyroid hormone receptor alpha 0.0043 0.0417 0.0406
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0186 0.0446
Brugia malayi nuclear receptor NHR-88 0.002 0.0158 0.0375
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0286
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.002 0.0158 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0485 0.0474
Toxoplasma gondii IMP dehydrogenas 0.0353 0.3917 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.0417 0.1047
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0108 0.1147 0.2914
Brugia malayi GMP reductase 0.0147 0.1585 0.4029
Leishmania major chloride channel protein, putative 0.0021 0.0164 0.0389
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0353 0.3917 0.9999
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.0417 0.1038
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0216 0.0523
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.0417 0.1047
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0012 0.001
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0532 0.0521
Echinococcus granulosus ecdysone induced protein 78C 0.0043 0.0417 0.1037
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0286
Brugia malayi nuclear receptor RXR 0.002 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.0336
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0131 0.0335
Echinococcus granulosus H:Cl exchange transporter 3 0.0021 0.0164 0.0389
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.003
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0366 0.0916
Entamoeba histolytica hypothetical protein 0.0039 0.0366 0.3196
Brugia malayi Nuclear hormone receptor E75 0.002 0.0158 0.0375
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0301 0.074
Plasmodium vivax SET domain protein, putative 0.003 0.0267 0.0697
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0202 0.019
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0143 0.0365
Mycobacterium tuberculosis Conserved protein 0.0021 0.0164 0.0418
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0186 0.0445
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.0417 0.1037
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0043 0.0417 0.1037
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0417 0.1038
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.0417 0.1047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0267 0.0664
Loa Loa (eye worm) histone methyltransferase 0.002 0.0151 0.0356
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0211 0.0543
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0286
Echinococcus multilocularis nuclear receptor nhr 48 0.002 0.0158 0.0146
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0301 0.074
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0202 0.0487
Mycobacterium ulcerans hypothetical protein 0.0021 0.0164 0.0389
Leishmania major GTP-binding protein, putative 0.0024 0.0202 0.0487
Brugia malayi latrophilin 2 splice variant baaae 0.0116 0.1234 0.3129
Schistosoma mansoni flap endonuclease-1 0.0023 0.0184 0.045
Mycobacterium ulcerans hypothetical protein 0.0021 0.0164 0.0389
Chlamydia trachomatis CBS domain-containing protein 0.0021 0.0164 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Echinococcus granulosus flap endonuclease 1 0.0025 0.0211 0.051
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0267 0.0256
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0445
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0012 0.003
Brugia malayi Voltage gated chloride channel family protein 0.0021 0.0164 0.0389
Brugia malayi Nuclear hormone receptor E75 0.002 0.0158 0.0375
Echinococcus granulosus FTZ F1 alpha 0.0043 0.0417 0.1037
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Schistosoma mansoni thyroid hormone receptor 0.0043 0.0417 0.1047
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Echinococcus multilocularis GPCR, family 2 0.0054 0.0532 0.0521
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0267 0.0664
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0043 0.0417 0.0406
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0147 0.1585 0.4029
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0021 0.0164 0.0389
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0021 0.0164 0.0399
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0374
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.0336
Brugia malayi nuclear hormone receptor 0.0043 0.0417 0.1038
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0442 0.0431
Trypanosoma brucei Voltage-gated Chloride channel Like 1 0.0021 0.0164 0.0389
Onchocerca volvulus 0.002 0.0158 0.0582
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0353 0.3917 1
Schistosoma mansoni protein kinase subunit gamma 0.0021 0.0164 0.0399
Onchocerca volvulus 0.002 0.0158 0.0582
Mycobacterium ulcerans hypothetical protein 0.0021 0.0164 0.0389
Brugia malayi nuclear hormone receptor 0.002 0.0158 0.0375
Brugia malayi ancient conserved domain protein 2 0.0021 0.0164 0.0389
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0286
Brugia malayi Calcitonin receptor-like protein seb-1 0.0169 0.1839 0.4678
Plasmodium falciparum flap endonuclease 1 0.0025 0.0211 0.0553

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 128 uM Inhibition of [3H]-isoleucyl incorporation by E. coli isoleucyl-tRNA synthetase (IleRS) ChEMBL. 11327600

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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