Detailed information for compound 1006462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.308 | Formula: C16H14N4O2
  • H donors: 3 H acceptors: 1 LogP: 1.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1c1cc2c(o1)cc(cc2)C(=N)N)C(=N)N
  • InChi: 1S/C16H14N4O2/c17-15(18)9-3-4-12(21)11(5-9)14-6-8-1-2-10(16(19)20)7-13(8)22-14/h1-7,21H,(H3,17,18)(H3,19,20)
  • InChiKey: VKJYJSDLJOEVAQ-UHFFFAOYSA-N  


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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
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.1346 0.1346
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0023 0.0029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3485 0.4452
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0086 0.0095
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0115 0.4272 0.5998
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0058 0.1937 0.272
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0058 0.1937 0.22
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0058 0.1937 0.272
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.1346 0.315
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0023 0.0029
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1028 0.1313
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1028 0.1168
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0058 0.1937 0.22
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0043 0.1346 1
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0023 0.0029
Brugia malayi beta-lactamase family protein 0.0035 0.1028 0.1028
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0023 0.0029
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1028 0.1168
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0058 0.1937 0.272
Trypanosoma cruzi cytochrome P450, putative 0.0115 0.4272 1
Onchocerca volvulus 0.0046 0.1462 0.1625
Schistosoma mansoni cytochrome P450 0.0058 0.1937 0.2475
Wolbachia endosymbiont of Brugia malayi bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase 0.001 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0058 0.1937 0.22
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0058 0.1937 0.22
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3485 0.4452
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0023 0.0025
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0058 0.1937 0.272
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0058 0.1937 0.272
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0086 0.0095
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.8803 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0771 0.0986
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0023 0.0029
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0058 0.1937 0.22
Onchocerca volvulus 0.0035 0.1028 0.1143
Loa Loa (eye worm) hypothetical protein 0.0029 0.0771 0.0771
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0058 0.1937 0.272
Schistosoma mansoni lipoxygenase 0.0202 0.7828 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0058 0.1937 0.22
Brugia malayi bHLH-PAS transcription factor 0.0035 0.1011 0.1011
Mycobacterium leprae Probable lipase LipE 0.0035 0.1028 0.5307
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0023 0.0029
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.5546 0.5546
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0058 0.1937 0.272
Leishmania major protein kinase, putative 0.0017 0.0262 0.0368
Brugia malayi Pre-SET motif family protein 0.0029 0.0771 0.0771
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3485 0.4452
Loa Loa (eye worm) hypothetical protein 0.0046 0.1462 0.1462
Onchocerca volvulus 0.0011 0.0023 0.0025
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0012 0.0086 0.0095
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.1346 0.1496
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.1346 0.1719
Echinococcus multilocularis 0.0058 0.1937 0.2475
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1028 0.1168
Mycobacterium ulcerans aldehyde dehydrogenase 0.0185 0.7122 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0771 0.0986
Loa Loa (eye worm) hypothetical protein 0.0035 0.1028 0.1028
Schistosoma mansoni coup transcription factor 0.0011 0.0023 0.0029
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0058 0.1937 0.272
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0058 0.1937 0.272
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0023 0.0029
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0202 0.7828 1
Schistosoma mansoni aldehyde dehydrogenase 0.0185 0.7122 0.9098
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0771 0.0986
Brugia malayi nuclear receptor NHR-88 0.0011 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0035 0.1028 0.1028
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.1346 0.1719
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0058 0.1937 0.272
Brugia malayi Doublecortin family protein 0.0046 0.1462 0.1462
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Onchocerca volvulus 0.0035 0.1011 0.1123
Schistosoma mansoni single-minded 0.0047 0.1511 0.193
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0023 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0086 0.0095
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0023 0.0029
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.1346 0.1719
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1028 0.1313
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0023 0.0029
Echinococcus multilocularis RUN 0.0046 0.1462 0.1868
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 1 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0012 0.0086 0.0095
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0012 0.0086 0.0086
Treponema pallidum gamma-glutamyl phosphate reductase 0.001 0 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0185 0.7122 1
Schistosoma mansoni rab6-interacting 0.0046 0.1462 0.1868
Loa Loa (eye worm) cytochrome P450 family protein 0.0115 0.4272 0.4272
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.1511 0.193
Echinococcus multilocularis lipoxygenase domain containing protein 0.0046 0.1462 0.1868
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1028 0.1143
Schistosoma mansoni aldehyde dehydrogenase 0.0185 0.7122 0.9098
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0023 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0771 0.0986
Trichomonas vaginalis guanylate cyclase, putative 0.0012 0.0086 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0023 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0023 0.0029
Schistosoma mansoni loxhd1 0.0046 0.1462 0.1868
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0023 0.0029
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1028 0.1168
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.1346 0.1889
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0058 0.1937 0.22
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0058 0.1937 0.272
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0023 0.0023
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0023 0.0029
Echinococcus multilocularis aryl hydrocarbon receptor 0.0012 0.0086 0.011
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0023 0.0029
Brugia malayi Cytochrome P450 family protein 0.0143 0.5426 0.5426
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0023 0.0023
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1028 0.1443
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1028 0.1313
Echinococcus multilocularis lipoxygenase domain containing protein 0.0046 0.1462 0.1868
Mycobacterium tuberculosis Conserved protein 0.0035 0.1028 0.1168
Trypanosoma cruzi cytochrome P450, putative 0.0115 0.4272 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1028 0.1168
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1028 0.1168
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0023 0.0023
Leishmania major hypothetical protein, conserved 0.0035 0.1028 0.1443
Onchocerca volvulus 0.0035 0.1028 0.1143
Brugia malayi Cytochrome P450 family protein 0.0058 0.1937 0.1937
Trichomonas vaginalis set domain proteins, putative 0.0231 0.8998 1
Brugia malayi beta-lactamase 0.0035 0.1028 0.1028
Plasmodium vivax multidomain scavenger receptor, putative 0.0046 0.1462 1
Mycobacterium ulcerans putative regulatory protein 0.0035 0.1011 0.1419
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0058 0.1937 0.22
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1028 0.2406
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0012 0.0086 0.0095
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0086 0.012
Brugia malayi PAS domain containing protein 0.0047 0.1511 0.1511
Echinococcus granulosus RUN 0.0046 0.1462 0.1868
Loa Loa (eye worm) cytochrome P450 family protein 0.0115 0.4272 0.4272
Brugia malayi Cytochrome P450 family protein 0.0115 0.4272 0.4272
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0023 0.0029
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0058 0.1937 0.22
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0058 0.1937 0.22
Echinococcus granulosus cytochrome P450 2K1 0.0058 0.1937 0.2475
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0058 0.1937 0.22
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Brugia malayi hypothetical protein 0.0046 0.1462 0.1462
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0023 0.0023
Onchocerca volvulus 0.0046 0.1462 0.1625
Schistosoma mansoni polycystin 1-related 0.0046 0.1462 0.1868
Schistosoma mansoni lipoxygenase 0.0119 0.4449 0.5683
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0023 0.0029
Schistosoma mansoni hypothetical protein 0.0046 0.1462 0.1868
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0058 0.1937 0.4534
Brugia malayi cytochrome P450 0.0058 0.1937 0.1937
Brugia malayi nuclear hormone receptor 0.0011 0.0023 0.0023
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0023 0.0023
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.1346 0.1719
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1028 0.1028
Loa Loa (eye worm) hypothetical protein 0.0158 0.6046 0.6046
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0012 0.0086 0.0201
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1028 0.1028
Loa Loa (eye worm) hypothetical protein 0.02 0.7742 0.7742
Loa Loa (eye worm) cytochrome P450 family protein 0.0143 0.5426 0.5426
Toxoplasma gondii ABC1 family protein 0.0035 0.1028 0.1443
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0058 0.1937 0.22
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1028 0.2406
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0023 0.0023
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1028 0.1443
Brugia malayi ecdysteroid receptor 0.0011 0.0023 0.0023
Mycobacterium ulcerans aldehyde dehydrogenase 0.0185 0.7122 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1028 0.1143
Toxoplasma gondii cytochrome p450 superfamily protein 0.0058 0.1937 0.272
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.1346 0.1496
Trichomonas vaginalis esterase, putative 0.0035 0.1028 0.1143
Onchocerca volvulus 0.0012 0.0086 0.0095
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.7856 0.7856
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0058 0.1937 0.22
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0058 0.1937 0.22
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0023 0.0029
Loa Loa (eye worm) doublecortin family protein 0.0046 0.1462 0.1462
Mycobacterium ulcerans hypothetical protein 0.0035 0.1028 0.1443
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0058 0.1937 0.272
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0058 0.1937 0.272
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0058 0.1937 0.272
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0771 0.0986
Echinococcus granulosus lipoxygenase domain containing protein 0.0046 0.1462 0.1868
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0058 0.1937 0.272
Echinococcus granulosus aryl hydrocarbon receptor 0.0012 0.0086 0.011
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.1346 0.1719
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Echinococcus granulosus Polycystic kidney disease protein 0.0046 0.1462 0.1868
Leishmania major cytochrome p450-like protein 0.0058 0.1937 0.272
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0023 0.0029
Loa Loa (eye worm) hypothetical protein 0.0035 0.1028 0.1028
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1028 0.5307
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0202 0.7828 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0058 0.1937 0.272
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0023 0.0023
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1028 0.1143
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0023 0.0023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0023 0.0029
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1028 0.1168
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0023 0.0023
Mycobacterium ulcerans beta-lactamase 0.0035 0.1028 0.1443
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.1346 0.315
Leishmania major protein kinase, putative 0.0012 0.0086 0.012
Schistosoma mansoni hypothetical protein 0.0058 0.1937 0.2475
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.3485 0.3485
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0058 0.1937 0.22
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0058 0.1937 0.272
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0086 0.0201
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0012 0.0086 0.0095
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0023 0.0029
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0023 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3485 0.4452
Brugia malayi N-terminal motif family protein 0.02 0.7742 0.7742
Loa Loa (eye worm) hypothetical protein 0.0057 0.192 0.192
Echinococcus multilocularis Polycystic kidney disease protein 0.0046 0.1462 0.1868
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0023 0.0023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0185 0.7122 0.9098
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.1346 0.1719
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0185 0.7122 0.9098
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1028 0.3713
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0058 0.1937 0.22
Trypanosoma brucei cytochrome P450, putative 0.0115 0.4272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0023 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0023 0.0023
Brugia malayi hypothetical protein 0.0158 0.6046 0.6046
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0086 0.0201
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0012 0.0086 0.0201
Loa Loa (eye worm) hypothetical protein 0.0035 0.1028 0.1028
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0023 0.0029
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0023 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0023 0.0023
Onchocerca volvulus 0.0029 0.0771 0.0857
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1028 0.1313
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.1346 0.1719
Mycobacterium ulcerans lipase LipD 0.0035 0.1028 0.1443
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0058 0.1937 0.22
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3485 0.4452
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0185 0.7122 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0058 0.1937 0.22
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0023 0.0023
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0012 0.0086 0.0095
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0058 0.1937 0.272
Onchocerca volvulus 0.0231 0.8998 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0058 0.1937 0.4534
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0771 0.0986
Loa Loa (eye worm) hypothetical protein 0.0046 0.1462 0.1462
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0012 0.0086 0.0201
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.3485 0.3485
Schistosoma mansoni rab6-interacting 0.0046 0.1462 0.1868
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0023 0.0029
Plasmodium falciparum LCCL domain-containing protein 0.0046 0.1462 0.5
Leishmania major cytochrome p450-like protein 0.0115 0.4272 0.5998
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0012 0.0086 0.011
Brugia malayi Cytochrome P450 family protein 0.0115 0.4272 0.4272
Mycobacterium tuberculosis Conserved protein 0.0035 0.1028 0.1168
Onchocerca volvulus 0.0035 0.1028 0.1143
Brugia malayi steroid hormone receptor 0.0011 0.0023 0.0023
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0012 0.0086 0.0201
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0023 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0023 0.0023
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0012 0.0086 0.011
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0043 0.1346 0.1346
Echinococcus granulosus lipoxygenase domain containing protein 0.0046 0.1462 0.1868
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1028 0.1143
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.1346 0.1496
Trichomonas vaginalis adenylate cyclase, putative 0.0012 0.0086 0.0095
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.1346 0.315
Mycobacterium leprae putative cytochrome p450 0.0058 0.1937 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0771 0.0986
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0058 0.1937 0.272
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0023 0.0023
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0058 0.1937 0.4534
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0023 0.0023
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0012 0.0086 0.5
Leishmania major cytochrome p450-like protein 0.0058 0.1937 0.272
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0023 0.0029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3485 0.4452
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0035 0.1028 0.1028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0185 0.7122 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0023 0.0029
Loa Loa (eye worm) cytochrome P450 0.0058 0.1937 0.1937
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0058 0.1937 0.272
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0058 0.1937 0.22
Mycobacterium leprae Possible regulatory protein 0.0012 0.0086 0.0443
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1028 0.1168
Loa Loa (eye worm) beta-lactamase 0.0035 0.1028 0.1028
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1028 0.2406
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.02 0.7742 0.8604
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3485 0.4452
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1028 0.1143
Brugia malayi Pre-SET motif family protein 0.0203 0.7856 0.7856
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0185 0.7122 0.809
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0728 0.093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0023 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0023 0.0029
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0058 0.1937 0.272
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0043 0.1346 1
Brugia malayi hypothetical protein 0.0046 0.1462 0.1462
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0023 0.0023
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0023 0.0029
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0023 0.0025
Loa Loa (eye worm) hypothetical protein 0.0035 0.1028 0.1028
Brugia malayi beta-lactamase family protein 0.0035 0.1028 0.1028
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.1011 0.1291
Loa Loa (eye worm) CYP4Cod1 0.0115 0.4272 0.4272
Brugia malayi hypoxia-induced factor 1 0.0146 0.5546 0.5546
Echinococcus granulosus single minded 2 0.0035 0.1011 0.1291
Trichomonas vaginalis guanylate cyclase, putative 0.0012 0.0086 0.0095
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0058 0.1937 0.4534
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0023 0.0029
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.1346 0.1719
Mycobacterium leprae Conserved hypothetical protein 0.0058 0.1937 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0771 0.1083
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0058 0.1937 0.22

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.029 uM Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloodstream trypomastigotes ChEMBL. 18841956
IC50 (functional) = 0.378 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 ChEMBL. 18841956
IC50 (functional) = 41 uM Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes ChEMBL. 18841956
Survival (functional) > 36 day Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 infected acute mouse model assessed as survival time at 5 mg/kg, ip administered daily for 4 days ChEMBL. 18841956

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 18841956
Trypanosoma brucei gambiense 18841956

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

No literature references available for this target.

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