Detailed information for compound 1071957

Basic information

Technical information
  • TDR Targets ID: 1071957
  • Name: N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspir o[4.5]decan-3-yl)acetamide
  • MW: 335.785 | Formula: C16H18ClN3O3
  • H donors: 2 H acceptors: 3 LogP: 2.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC2(C1=O)CCCCC2)Nc1ccc(cc1)Cl
  • InChi: 1S/C16H18ClN3O3/c17-11-4-6-12(7-5-11)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)
  • InChiKey: CMHQMPIBGIJPST-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorophenyl)-2-(2,4-diketo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
  • N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)ethanamide
  • ZINC03345741
  • T0520-8477

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0405 0.8456 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0266 0.5339 0.5305
Echinococcus multilocularis tar DNA binding protein 0.0129 0.228 0.2598
Echinococcus granulosus chromobox protein 1 0.007 0.098 0.104
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.1054 0.0903
Echinococcus granulosus lysosomal alpha glucosidase 0.032 0.6539 0.7703
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0407 0.0352
Mycobacterium ulcerans hypothetical protein 0.0074 0.1054 0.1062
Loa Loa (eye worm) hypothetical protein 0.0068 0.0927 0.1064
Entamoeba histolytica hypothetical protein 0.0189 0.3622 1
Onchocerca volvulus 0.0074 0.1054 0.1054
Schistosoma mansoni chromobox protein 0.007 0.098 0.104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0407 0.0352
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Loa Loa (eye worm) TAR-binding protein 0.0129 0.228 0.2617
Loa Loa (eye worm) hypothetical protein 0.0031 0.0101 0.0115
Echinococcus granulosus neutral alpha glucosidase AB 0.0071 0.0993 0.1055
Loa Loa (eye worm) hypothetical protein 0.0031 0.0113 0.0129
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0405 0.8456 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0033 0.0137 0.0848
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.2069 0.2288
Brugia malayi Thioredoxin reductase 0.0099 0.1616 0.1855
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0119 0.2069 0.2346
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.1083
Brugia malayi beta-lactamase family protein 0.0074 0.1054 0.121
Onchocerca volvulus 0.0074 0.1054 0.1054
Plasmodium falciparum glutathione reductase 0.0034 0.0175 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0129 0.228 0.2598
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0339 0.0271
Plasmodium falciparum glutathione reductase 0.0099 0.1616 0.1778
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0745 0.0758
Loa Loa (eye worm) hypothetical protein 0.0074 0.1054 0.121
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0251 0.5003 0.5336
Brugia malayi follicle stimulating hormone receptor 0.0236 0.4673 0.5362
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1054 0.1054
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.1054 0.1062
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0266 0.5339 0.579
Echinococcus multilocularis lysine specific demethylase 6a 0.0033 0.0137 0.0029
Brugia malayi jmjC domain containing protein 0.0122 0.2134 0.2449
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.014 0.2527 0.199
Loa Loa (eye worm) jmjC domain-containing protein 0.0122 0.2134 0.2449
Trypanosoma cruzi trypanothione reductase, putative 0.0034 0.0175 0.1083
Loa Loa (eye worm) hypothetical protein 0.0074 0.1054 0.121
Plasmodium falciparum thioredoxin reductase 0.0034 0.0175 0.0046
Trichomonas vaginalis maltase-glucoamylase, putative 0.0071 0.0993 0.0993
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0137 0.0157
Leishmania major alpha glucosidase II subunit, putative 0.0071 0.0993 0.4797
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1054 0.1129
Schistosoma mansoni alpha glucosidase 0.0071 0.0993 0.1055
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.1054 0.0903
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0417 0.8715 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0071 0.0993 0.0993
Onchocerca volvulus 0.0071 0.1002 0.1002
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0071 0.0993 0.1139
Schistosoma mansoni tar DNA-binding protein 0.0129 0.228 0.2598
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.2069 0.2288
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0266 0.5339 0.5305
Toxoplasma gondii NADPH-glutathione reductase 0.0034 0.0175 0.0046
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0071 0.0993 0.2741
Trichomonas vaginalis alpha-glucosidase, putative 0.0071 0.0993 0.0993
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.1083
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0407 0.0467
Onchocerca volvulus 0.0031 0.0101 0.0101
Trichomonas vaginalis alpha-glucosidase, putative 0.0071 0.0993 0.0993
Mycobacterium tuberculosis Probable oxidoreductase 0.0251 0.5003 0.496
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1629 0.1869
Echinococcus multilocularis jumonji domain containing 1A 0.0033 0.0137 0.0029
Brugia malayi Glycosyl hydrolases family 31 protein 0.0071 0.0993 0.1139
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0175 0.0201
Loa Loa (eye worm) thioredoxin reductase 0.0099 0.1616 0.1855
Brugia malayi RNA binding protein 0.0129 0.228 0.2617
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.014 0.2527 0.2873
Echinococcus granulosus JmjC domain containing protein 4 0.0033 0.0137 0.0029
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.1054 0.1062
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.098 0.1125
Brugia malayi Glycosyl hydrolases family 31 protein 0.032 0.6539 0.7504
Echinococcus multilocularis phd:f box containing protein 0.0033 0.0137 0.0029
Echinococcus granulosus peptidase Clp S14 family 0.0266 0.5339 0.6265
Trichomonas vaginalis esterase, putative 0.0074 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0099 0.1629 0.1869
Plasmodium vivax thioredoxin reductase, putative 0.0099 0.1616 0.1778
Echinococcus granulosus phd:f box containing protein 0.0033 0.0137 0.0029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0745 0.0758
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0357 0.0357
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0261 0.015
Echinococcus granulosus lysine specific demethylase 6a 0.0033 0.0137 0.0029
Loa Loa (eye worm) hypothetical protein 0.0074 0.1054 0.121
Loa Loa (eye worm) hypothetical protein 0.0033 0.0137 0.0157
Mycobacterium ulcerans lipase LipD 0.0074 0.1054 0.1062
Echinococcus multilocularis neutral alpha glucosidase AB 0.0071 0.0993 0.1055
Trypanosoma cruzi trypanothione reductase, putative 0.0099 0.1616 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0113 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0291 0.0291
Schistosoma mansoni peptidase Clp (S14 family) 0.0405 0.8456 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0471 0.991 1
Trypanosoma brucei trypanothione reductase 0.0099 0.1616 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0927 0.1064
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.1083
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0291 0.0291
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0405 0.8456 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.032 0.6539 0.7504
Brugia malayi hypothetical protein 0.0182 0.3481 0.3995
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0175 0.1083
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0033 0.0137 0.0848
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.1054 0.1129
Toxoplasma gondii ABC1 family protein 0.0074 0.1054 0.1102
Entamoeba histolytica hypothetical protein 0.0189 0.3622 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0826 0.0669
Loa Loa (eye worm) hypothetical protein 0.0074 0.1054 0.121
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0119 0.2069 1
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0993 0.6142
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0339 0.0242
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.1054 0.121
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0175 0.0075
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.2069 0.2346
Trichomonas vaginalis alpha-glucosidase, putative 0.0071 0.0993 0.0993
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0826 0.0856
Schistosoma mansoni alpha-glucosidase 0.0275 0.5547 0.6514
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0034 0.0175 0.0046
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.1054 0.6522
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0826 0.0786
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0189 0.3622 0.4206
Leishmania major trypanothione reductase 0.0099 0.1616 0.781
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.1083
Entamoeba histolytica hypothetical protein 0.0189 0.3622 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0745 0.0758
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.1054 0.0903
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0261 0.0722
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0122 0.2134 0.2423
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0405 0.8456 1
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.228 0.2617
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0071 0.1002 0.1066
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0745 0.0758
Loa Loa (eye worm) acetyltransferase 0.0141 0.2566 0.2945
Toxoplasma gondii hypothetical protein 0.014 0.2527 0.2873
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0226 0.4442 0.4383
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0034 0.0175 0.0846
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0119 0.2069 0.2346
Schistosoma mansoni jumonji domain containing protein 0.0122 0.2134 0.2423
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0175 0.1083
Brugia malayi jmjC domain containing protein 0.0033 0.0137 0.0157
Schistosoma mansoni jumonji/arid domain-containing protein 0.0122 0.2134 0.2423
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0339 0.0242
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0745 0.0855
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0189 0.3622 0.4206
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0033 0.0137 0.0029
Echinococcus multilocularis peptidase Clp (S14 family) 0.0266 0.5339 0.6265
Loa Loa (eye worm) hypothetical protein 0.0074 0.1054 0.121
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0175 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0129 0.228 0.2598
Brugia malayi beta-lactamase family protein 0.0074 0.1054 0.121
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0071 0.0993 0.0993
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0071 0.0993 0.2741
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.014 0.2527 0.2873
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0034 0.0175 0.0046
Mycobacterium tuberculosis Conserved protein 0.0074 0.1054 0.0903
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0137 0.0157
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0648 0.0743
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0251 0.5003 0.496
Brugia malayi jmjC domain containing protein 0.0033 0.0137 0.0157
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.2069 0.2288
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0261 1
Mycobacterium tuberculosis Conserved protein 0.0074 0.1054 0.0903
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0226 0.4442 0.4383
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0034 0.0175 0.1083
Echinococcus multilocularis chromobox protein 1 0.007 0.098 0.104
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1629 0.1869
Brugia malayi jmjC domain containing protein 0.0122 0.2134 0.2449
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1054 0.6522
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0339 0.0339
Loa Loa (eye worm) glutathione reductase 0.0099 0.1616 0.1855
Schistosoma mansoni alpha-glucosidase 0.0275 0.5547 0.6514
Brugia malayi Heterochromatin protein 1 0.007 0.098 0.1125
Onchocerca volvulus 0.0185 0.3534 0.3534
Brugia malayi Pre-SET motif family protein 0.006 0.0745 0.0855
Echinococcus multilocularis lysine specific demethylase 5A 0.0122 0.2134 0.2423
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.0846
Brugia malayi jmjC domain containing protein 0.0033 0.0137 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1054 0.6522
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.0846
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0175 0.1083
Trichomonas vaginalis sucrase-isomaltase, putative 0.0071 0.0993 0.0993
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0034 0.0175 0.0046
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0251 0.5003 0.496
Schistosoma mansoni chromobox protein 0.007 0.098 0.104
Trichomonas vaginalis chromobox protein, putative 0.007 0.098 0.098
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0745 0.0731
Schistosoma mansoni phosphatidylserine receptor 0.0033 0.0137 0.0029
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0826 0.0856
Mycobacterium tuberculosis Conserved protein 0.0074 0.1054 0.0903
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Mycobacterium tuberculosis Probable reductase 0.0226 0.4442 0.4383
Echinococcus multilocularis chromobox protein 1 0.007 0.098 0.104
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.1054 0.121
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.1054 0.0903
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0034 0.0175 0.0846
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.2566 0.2941
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0175 0.0175
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0071 0.0993 0.0993
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0175 0.0075
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0226 0.4442 0.4383
Echinococcus granulosus tar DNA binding protein 0.0129 0.228 0.2598
Schistosoma mansoni protein phosphatase 2C 0.0033 0.0137 0.0029
Brugia malayi chromobox protein homolog 3 0.0039 0.0291 0.0334
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1054 0.1129
Loa Loa (eye worm) hypothetical protein 0.0182 0.3481 0.3995
Echinococcus multilocularis thioredoxin glutathione reductase 0.0099 0.1616 0.1802
Loa Loa (eye worm) hypothetical protein 0.0033 0.0137 0.0157
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0357 0.0357
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.2069 0.2346
Echinococcus granulosus lysine specific demethylase 5A 0.0122 0.2134 0.2423
Brugia malayi TAR-binding protein 0.0129 0.228 0.2617
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0113 0.0129
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0033 0.0137 0.0029
Plasmodium vivax hypothetical protein, conserved 0.0074 0.1054 0.1102
Echinococcus granulosus thioredoxin glutathione reductase 0.0099 0.1616 0.1802
Trichomonas vaginalis chromobox protein, putative 0.007 0.098 0.098
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0339 0.0339
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0034 0.0034
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.2566 0.2941
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0826 0.0856
Loa Loa (eye worm) beta-lactamase 0.0074 0.1054 0.121
Loa Loa (eye worm) hypothetical protein 0.0039 0.0291 0.0334
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1054 0.1054
Trichomonas vaginalis alpha-glucosidase, putative 0.0071 0.0993 0.0993
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0226 0.4442 0.4383
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.1054 0.0903
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0407 0.0352
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0034 0.0034
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.1083
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0099 0.1616 0.1481
Plasmodium vivax glutathione reductase, putative 0.0099 0.1616 0.1778
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0407 0.0352
Schistosoma mansoni transcription factor LCR-F1 0.0189 0.3622 0.4206
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.4673 0.5362
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0407 0.0352
Brugia malayi jmjC domain containing protein 0.0033 0.0137 0.0157
Mycobacterium ulcerans beta-lactamase 0.0074 0.1054 0.1062
Schistosoma mansoni jumonji/arid domain-containing protein 0.0122 0.2134 0.2423
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0826 0.0948
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.2566 0.2945
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0696 0.07
Brugia malayi Pre-SET motif family protein 0.0417 0.8715 1
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.1054 0.0903
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0826 0.3993
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0071 0.0993 0.1029
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.014 0.2527 0.284
Brugia malayi hypothetical protein 0.0189 0.3622 0.4156
Schistosoma mansoni tar DNA-binding protein 0.0129 0.228 0.2598
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0033 0.0137 0.0029
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0357 0.0357
Echinococcus multilocularis lysosomal alpha glucosidase 0.032 0.6539 0.7703
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0339 0.0242
Echinococcus multilocularis JmjC domain containing protein 4 0.0033 0.0137 0.0029
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0745 0.0758
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0407 0.0352
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0034 0.0175 0.0046
Onchocerca volvulus 0.0074 0.1054 0.1054
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0175 0.1083
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.1054 0.1129
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0405 0.8456 1
Schistosoma mansoni hypothetical protein 0.0068 0.0927 0.0976
Plasmodium falciparum thioredoxin reductase 0.0099 0.1616 0.1778
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1054 0.1054
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0033 0.0137 0.0848
Echinococcus multilocularis lysosomal alpha glucosidase 0.032 0.6539 0.7703
Schistosoma mansoni phd/f-box containing protein 0.0033 0.0137 0.0029
Leishmania major hypothetical protein, conserved 0.0033 0.0137 0.0662
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.228 0.2617
Mycobacterium tuberculosis Probable dehydrogenase 0.0226 0.4442 0.4383
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0407 0.0352
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0291 0.0291
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0407 0.0467
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.2478 0.2835
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0226 0.4442 0.4577
Loa Loa (eye worm) RNA binding protein 0.0129 0.228 0.2617
Toxoplasma gondii aldehyde dehydrogenase 0.0119 0.2069 0.2323
Schistosoma mansoni hypothetical protein 0.0189 0.3622 0.4206
Brugia malayi Probable ClpP-like protease 0.0405 0.8456 0.9703
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0034 0.0175 0.0046
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0034 0.0175 0.1083
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0113 0.0129
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0826 0.0786
Leishmania major hypothetical protein, conserved 0.0074 0.1054 0.5094
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.1054 0.0903
Loa Loa (eye worm) hypothetical protein 0.0405 0.8456 0.9703
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0119 0.2069 0.1946
Echinococcus granulosus jumonji domain containing 1A 0.0033 0.0137 0.0029
Echinococcus granulosus chromobox protein 1 0.007 0.098 0.104
Brugia malayi beta-lactamase 0.0074 0.1054 0.121
Loa Loa (eye worm) hypothetical protein 0.0033 0.0137 0.0157
Trypanosoma brucei glucosidase, putative 0.0071 0.0993 0.6142
Schistosoma mansoni jumonji domain containing protein 0.0033 0.0137 0.0029
Plasmodium vivax SET domain protein, putative 0.006 0.0745 0.0731
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1629 0.1869
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1054 0.1054
Brugia malayi glutathione reductase 0.0099 0.1616 0.1855
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0745 0.0758
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1054 0.1054
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0122 0.2134 0.2423
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0175 0.0175
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0175 0.1083
Toxoplasma gondii thioredoxin reductase 0.0099 0.1616 0.1778
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0137 0.0157
Schistosoma mansoni tar DNA-binding protein 0.0129 0.228 0.2598
Loa Loa (eye worm) hypothetical protein 0.0074 0.1054 0.121
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0993 0.6142
Onchocerca volvulus 0.0182 0.3481 0.3481
Entamoeba histolytica hypothetical protein 0.0189 0.3622 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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.
 
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.

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