Detailed information for compound 1053660

Basic information

Technical information
  • TDR Targets ID: 1053660
  • Name: 7-(3-dimethylaminopyrrolidin-1-ium-1-yl)-6-fl uoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyri dine-3-carboxylic acid chloride
  • MW: 439.892 | Formula: C18H19ClFN5O3S
  • H donors: 1 H acceptors: 5 LogP: 1.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1CCN(C1)c1nc2c(cc1F)c(=O)c(cn2c1nccs1)C(=O)O)C.Cl
  • InChi: 1S/C18H18FN5O3S.ClH/c1-22(2)10-3-5-23(8-10)16-13(19)7-11-14(25)12(17(26)27)9-24(15(11)21-16)18-20-4-6-28-18;/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,26,27);1H
  • InChiKey: QTMHORUAFUMPRT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(3-dimethylaminopyrrolidin-1-ium-1-yl)-6-fluoro-4-oxo-1-thiazol-2-yl-1,8-naphthyridine-3-carboxylic acid chloride
  • 7-(3-dimethylamino-1-pyrrolidin-1-iumyl)-6-fluoro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid chloride
  • 7-(3-dimethylaminopyrrolidin-1-ium-1-yl)-6-fluoro-4-keto-1-thiazol-2-yl-1,8-naphthyridine-3-carboxylic acid chloride

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cpg binding protein 0.0032 0.0222 0.0222
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0031 0.0031
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1107 1 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0031 0.0031
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0085 0.0699 0.2365
Schistosoma mansoni aldehyde dehydrogenase 0.014 0.1196 0.1196
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0085 0.0699 0.0692
Mycobacterium leprae putative cytochrome p450 0.0012 0.0036 0.0028
Leishmania major selenophosphate synthetase, putative 0.0011 0.0026 0.0018
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0036 0.0028
Schistosoma mansoni hypothetical protein 0.0009 0.0008 0.0008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0413 0.0413
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0031 0.0031
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0527 0.4719 0.4715
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0031 0.0031
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.033 0.2931 1
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0031 0.0023
Chlamydia trachomatis 3'(2'),5'-bisphosphate nucleotidase CysQ 0.0009 0.0008 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0031 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0031 0.0023
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0012 0.0036 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0031 0.0023
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0031 0.0023
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1107 1 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0012 0.0036 0.0028
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.033 0.2931 1
Schistosoma mansoni rab6-interacting 0.0023 0.0136 0.0136
Trichomonas vaginalis ferritin, putative 0.001 0.0017 0.002
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0136 0.0136
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0018 0.0018
Schistosoma mansoni pap-inositol-14-phosphatase 0.0009 0.0008 0.0008
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0146 0.1253 0.1247
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0085 0.0699 0.0692
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0031 0.0031
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0031 0.0031
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0032 0.0219 0.0212
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0428 0.0421
Schistosoma mansoni aldehyde dehydrogenase 0.014 0.1196 0.1196
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0085 0.0699 0.5517
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0031 0.0031
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1107 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.014 0.1196 0.119
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0031 0.0023
Brugia malayi nuclear receptor NHR-88 0.0011 0.0031 0.0023
Echinococcus multilocularis 0.0011 0.0026 0.0026
Onchocerca volvulus 0.0032 0.0222 0.0214
Echinococcus granulosus thymidylate synthase 0.1107 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0012 0.0036 0.0028
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0012 0.0036 0.0028
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0036 0.0028
Echinococcus granulosus ferritin 0.001 0.0017 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0012 0.0036 0.0028
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0012 0.0036 0.0028
Echinococcus multilocularis 3'(2'),5' bisphosphate nucleotidase 1 0.0009 0.0008 0.0008
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0018 0.0018
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0012 0.0036 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0031 0.0023
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0136 0.0129
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0136 0.0111
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0031 0.0031
Echinococcus multilocularis RUN 0.0023 0.0136 0.0136
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0.0017 0.0009
Schistosoma mansoni cpg binding protein 0.0034 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.0023 0.0136 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0031 0.0023
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0012 0.0036 0.0028
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0017 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0413 0.0413
Schistosoma mansoni lipoxygenase 0.0096 0.0803 0.0803
Echinococcus multilocularis inositol monophosphatase 1 0.0085 0.0699 0.0699
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0012 0.0036 0.0028
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0136 0.0136
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Echinococcus multilocularis cpg binding protein 0.0034 0.0239 0.0239
Schistosoma mansoni coup transcription factor 0.0011 0.0031 0.0031
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0031 0.0023
Trichomonas vaginalis inositol monophosphatase, putative 0.0085 0.0699 0.1468
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0012 0.0036 0.0028
Echinococcus granulosus 3'2'5' bisphosphate nucleotidase 1 0.0009 0.0008 0.0008
Schistosoma mansoni cytochrome P450 0.0012 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0031 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0031 0.0023
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0031 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0031 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0012 0.0036 0.0028
Schistosoma mansoni myo inositol monophosphatase 0.0009 0.0008 0.0008
Trypanosoma brucei Selenophosphate synthetase 2 0.0011 0.0026 0.0018
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1107 1 1
Brugia malayi hypothetical protein 0.0527 0.4719 0.4715
Toxoplasma gondii aldehyde dehydrogenase 0.014 0.1196 0.119
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0012 0.0036 0.0028
Onchocerca volvulus 0.0011 0.0031 0.0023
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1107 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0031 0.0031
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0012 0.0036 0.0028
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0036 0.0028
Schistosoma mansoni inositol monophosphatase 0.0085 0.0699 0.0699
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0031 0.0023
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Mycobacterium tuberculosis Hypothetical protein 0.0527 0.4719 0.4715
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0012 0.0036 0.0028
Echinococcus multilocularis ferritin 0.001 0.0017 0.0017
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.014 0.1196 0.1196
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0012 0.0036 0.0028
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0031 0.0031
Schistosoma mansoni ferritin light chain 0.001 0.0017 0.0017
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0085 0.0699 0.1468
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0136 0.0136
Brugia malayi Inositol-1 0.0085 0.0699 0.0692
Schistosoma mansoni polycystin 1-related 0.0023 0.0136 0.0136
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0031 0.0031
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0.0017 0.0009
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0076 0.0618 0.0611
Echinococcus granulosus cpg binding protein 0.0034 0.0239 0.0239
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Echinococcus granulosus RUN 0.0023 0.0136 0.0136
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0012 0.0036 0.0028
Brugia malayi steroid hormone receptor 0.0011 0.0031 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0031 0.0031
Schistosoma mansoni inositol monophosphatase 0.0085 0.0699 0.0699
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0012 0.0036 0.0028
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0031 0.0031
Leishmania major cytochrome p450-like protein 0.0012 0.0036 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0031 0.0023
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0012 0.0036 0.0028
Toxoplasma gondii cytochrome p450 superfamily protein 0.0012 0.0036 0.0028
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0146 0.1253 0.1247
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0031 0.0023
Loa Loa (eye worm) hypothetical protein 0.0023 0.0136 0.0129
Mycobacterium ulcerans aldehyde dehydrogenase 0.014 0.1196 0.119
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0031 0.0023
Brugia malayi hypothetical protein 0.0023 0.0136 0.0129
Echinococcus granulosus selenide water dikinase 0.0011 0.0026 0.0026
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0146 0.1253 1
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0021 0.012 0.0113
Echinococcus granulosus inositol monophosphatase 0.0009 0.0008 0.0008
Echinococcus multilocularis dnaJ subfamily B 0.0462 0.4131 0.4131
Echinococcus multilocularis thymidylate synthase 0.1107 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0031 0.0023
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0085 0.0699 0.0692
Mycobacterium ulcerans aldehyde dehydrogenase 0.014 0.1196 0.119
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0012 0.0036 0.0028
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0012 0.0036 0.0028
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Trypanosoma cruzi selenophosphate synthetase, putative 0.0011 0.0026 0.0018
Onchocerca volvulus 0.0026 0.016 0.0152
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0012 0.0036 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0527 0.4719 1
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0036 0.0036
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0012 0.0036 0.0028
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0031 0.0031
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0032 0.0219 0.0212
Brugia malayi selenium donor protein 0.0011 0.0026 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0012 0.0036 0.0028
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0031 0.0031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0031 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0012 0.0036 0.0028
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0031 0.0023
Schistosoma mansoni rab6-interacting 0.0023 0.0136 0.0136
Mycobacterium ulcerans aldehyde dehydrogenase 0.014 0.1196 0.119
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0031 0.0031
Loa Loa (eye worm) selenium donor protein 0.0011 0.0026 0.0018
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0138 0.1181 0.1181
Brugia malayi cytochrome P450 0.0012 0.0036 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0413 0.0413
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0031 0.0031
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0012 0.0036 0.0028
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0486 0.0479
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1107 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0085 0.0699 0.0699
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0031 0.0031
Brugia malayi CXXC zinc finger family protein 0.0032 0.0222 0.0214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0031 0.0023
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.014 0.1196 0.119
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0085 0.0699 0.0692
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0413 0.0406
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0031 0.0031
Loa Loa (eye worm) thymidylate synthase 0.1107 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0031 0.0031
Schistosoma mansoni cpg binding protein 0.0034 0.0239 0.0239
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Schistosoma mansoni lipoxygenase 0.0138 0.1181 0.1181
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0012 0.0036 0.0028
Giardia lamblia Fructose-bisphosphate aldolase 0.033 0.2931 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0036 0.0028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0413 0.0413
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0012 0.0036 0.0028
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0085 0.0699 0.1468
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0012 0.0036 0.0028
Schistosoma mansoni apoferritin-2 0.001 0.0017 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0012 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0032 0.0219 0.0212
Echinococcus multilocularis expressed protein 0.001 0.0017 0.0017
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0161 0.1394 0.1388
Mycobacterium leprae PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II) 0.0011 0.0026 0.0018
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0012 0.0036 0.0028
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0031 0.0031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.014 0.1196 0.1196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0031 0.0023
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0031 0.0031
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0036 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0413 0.0413
Onchocerca volvulus 0.0023 0.0136 0.0129
Brugia malayi Cytochrome P450 family protein 0.0012 0.0036 0.0028
Brugia malayi Cytochrome P450 family protein 0.0055 0.0428 0.0421
Wolbachia endosymbiont of Brugia malayi phosphoribosylformylglycinamidine synthase domain-containing protein 0.0011 0.0026 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1107 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.033 0.2931 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0012 0.0036 0.0028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0031 0.0031
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1107 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0553 0.0553
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0031 0.0023
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0012 0.0036 0.0028
Mycobacterium tuberculosis Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II) 0.0011 0.0026 0.0018
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0138 0.1181 0.1181
Trypanosoma cruzi selenophosphate synthetase, putative 0.0011 0.0026 0.0018
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1107 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0012 0.0036 0.0028
Schistosoma mansoni ferritin light chain 0.001 0.0017 0.0017
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0222 0.0214
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0032 0.0219 0.1639
Onchocerca volvulus 0.0023 0.0136 0.0129
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0012 0.0036 0.0028
Brugia malayi Cytochrome P450 family protein 0.0012 0.0036 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0031 0.0023
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0413 0.0406
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0031 0.0023
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0161 0.1394 0.1388
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0012 0.0036 0.0028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0136 0.0136
Toxoplasma gondii selenide, water dikinase 0.0011 0.0026 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0009 0.0008 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Brugia malayi Cytochrome P450 family protein 0.0012 0.0036 0.0028
Brugia malayi Doublecortin family protein 0.0023 0.0136 0.0129
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0036 0.0028
Brugia malayi nuclear hormone receptor 0.0011 0.0031 0.0023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0413 0.0413
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0031 0.0023
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0085 0.0699 0.0692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0413 0.0413
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0012 0.0036 0.0028
Schistosoma mansoni hypothetical protein 0.0012 0.0036 0.0036
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0.0017 0.0009
Loa Loa (eye worm) cytochrome P450 0.0012 0.0036 0.0028
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0012 0.0036 0.0028
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0085 0.0699 0.0692
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0012 0.0036 0.0028
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0012 0.0036 0.0028
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0012 0.0036 0.0028
Onchocerca volvulus 0.1107 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0012 0.0036 0.0028
Onchocerca volvulus 0.0032 0.0219 0.0212
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0012 0.0036 0.0028
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0012 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0161 0.1394 0.1388
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0012 0.0036 0.0028
Schistosoma mansoni loxhd1 0.0023 0.0136 0.0136
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0012 0.0036 0.0028
Echinococcus multilocularis inositol monophosphatase 0.0009 0.0008 0.0008
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0136 0.0136
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0031 0.0023
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0.0017 0.0009
Loa Loa (eye worm) inositol-1 0.0085 0.0699 0.0692
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0076 0.0618 0.0611
Leishmania major cytochrome p450-like protein 0.0012 0.0036 0.0028
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0023
Schistosoma mansoni hypothetical protein 0.0462 0.4131 0.4131
Brugia malayi hypothetical protein 0.0023 0.0136 0.0129
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0136 0.0136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.033 0.2931 0.6205
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0036 0.0028
Schistosoma mansoni apoferritin-2 0.001 0.0017 0.0017
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0031 0.0031
Mycobacterium ulcerans phosphoribosylformylglycinamidine synthase II 0.0011 0.0026 0.0018
Leishmania major cytochrome p450-like protein 0.0012 0.0036 0.0028
Echinococcus granulosus expressed protein 0.001 0.0017 0.0017
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0023 0.0136 0.0129
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0012 0.0036 0.0028
Echinococcus multilocularis 0.0012 0.0036 0.0036
Loa Loa (eye worm) histone methyltransferase 0.001 0.0018 0.001
Echinococcus granulosus dnaJ subfamily B 0.0462 0.4131 0.4131
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0031 0.0031
Schistosoma mansoni selinide water dikinase 0.0011 0.0026 0.0026
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0136 0.0111
Mycobacterium ulcerans thymidylate synthase 0.1107 1 1
Brugia malayi ecdysteroid receptor 0.0011 0.0031 0.0023
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0031 0.0031

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.05700000000000001 ug ml-1 Cytotoxic activity of compound against Murine P388 Leukemia ChEMBL. 12459024
T/C (functional) = 138 % In vitro antitumor activity of compound against P388 leukemia cells at a dose of 3.13 mg/kg ChEMBL. 12459024
T/C (functional) = 175 % In vitro antitumor activity of compound against P388 leukemia cells at a dose of 12.5 mg/kg ChEMBL. 12459024
T/C (functional) = 225 % In vitro antitumor activity of compound against P388 leukemia cells at a dose of 50 mg/kg ChEMBL. 12459024

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 12459024

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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