Detailed information for compound 1057472

Basic information

Technical information
  • TDR Targets ID: 1057472
  • Name: 6-[(2,3-dichlorophenyl)methyl]-1-(3-hydroxypr opyl)-4-oxoquinoline-3-carboxylic acid
  • MW: 406.259 | Formula: C20H17Cl2NO4
  • H donors: 2 H acceptors: 4 LogP: 4.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCn1cc(C(=O)O)c(=O)c2c1ccc(c2)Cc1cccc(c1Cl)Cl
  • InChi: 1S/C20H17Cl2NO4/c21-16-4-1-3-13(18(16)22)9-12-5-6-17-14(10-12)19(25)15(20(26)27)11-23(17)7-2-8-24/h1,3-6,10-11,24H,2,7-9H2,(H,26,27)
  • InChiKey: KNKLHDMRTGLSFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(2,3-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-4-oxo-quinoline-3-carboxylic acid
  • 6-[(2,3-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-4-oxo-3-quinolinecarboxylic acid
  • 6-(2,3-dichlorobenzyl)-1-(3-hydroxypropyl)-4-keto-quinoline-3-carboxylic acid
  • 3-Quinolinecarboxylic acid, 6-[(2,3-dichlorophenyl)methyl]-1,4-dihydro-1-(3-hydroxypropyl)-4-oxo-
  • AIDS-241622
  • AIDS241622

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Integrase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
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
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0106 0.0087
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0093 0.0182
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0639 0.0585
Echinococcus multilocularis muscleblind protein 1 0.0153 0.1517 0.1469
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.1107 0.1694
Brugia malayi Trypsin family protein 0.0106 0.0929 0.2029
Echinococcus granulosus caspase 2 0.0087 0.0703 0.1042
Toxoplasma gondii hypothetical protein 0.004 0.0106 0.0346
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0123 0.0334
Echinococcus multilocularis caspase 2 0.0087 0.0703 0.0649
Trichomonas vaginalis glutathione reductase, putative 0.0052 0.0256 0.1009
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0045 0.0175 0.0273
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0639 0.0939
Plasmodium falciparum glutathione reductase 0.0149 0.1478 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0093 0.0058
Echinococcus granulosus expressed protein 0.0038 0.0081 0.0039
Brugia malayi jmjC domain containing protein 0.0061 0.0374 0.0737
Echinococcus granulosus caspase 8 0.0045 0.0175 0.0189
Schistosoma mansoni serine/threonine protein kinase 0.0379 0.4355 0.6938
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0038 0.0084 0.0061
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0093 0.0182
Echinococcus multilocularis regulator of G protein signaling 3 0.0038 0.0081 0.0024
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0038 0.0084 0.0061
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0341 0.3874 0.8888
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0045 0.0175 0.0189
Echinococcus granulosus caspase 0.012 0.1107 0.1694
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0093 0.0057
Loa Loa (eye worm) RGS-3 protein 0.0038 0.0081 0.0187
Trypanosoma cruzi trypanothione reductase, putative 0.0149 0.1478 0.722
Brugia malayi A-kinase anchor protein 10, precursor 0.0038 0.0081 0.0056
Leishmania major trypanothione reductase 0.0149 0.1478 0.722
Plasmodium falciparum metacaspase-like protein 0.0045 0.0175 0.0588
Schistosoma mansoni ap endonuclease 0.0039 0.0093 0.0058
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0108 0.0258
Trypanosoma brucei metacaspase MCA3 0.0045 0.0175 0.0596
Echinococcus granulosus Regulator of G protein signaling 20 0.0038 0.0081 0.0039
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.0882 0.1331
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Plasmodium vivax thioredoxin reductase, putative 0.0149 0.1478 1
Toxoplasma gondii CAAX amino terminal protease family protein 0.004 0.0106 0.0346
Brugia malayi Inositol-1 0.0041 0.0123 0.0153
Mycobacterium tuberculosis Probable dehydrogenase 0.0341 0.3874 0.8888
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0093 0.0056
Echinococcus multilocularis geminin 0.0531 0.6252 0.623
Leishmania major metacaspase, putative 0.0045 0.0175 0.0596
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0175 0.0596
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0501 0.1149
Trypanosoma brucei metacaspase 0.0045 0.0175 0.0596
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0052 0.0256 0.2979
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 1
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0093 0.0057
Brugia malayi Ets-domain containing protein 0.0076 0.0563 0.1176
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.0882 0.0829
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1634 0.1586
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0343 0.0664
Schistosoma mansoni axis inhibition protein axin 0.0038 0.0081 0.0039
Echinococcus multilocularis neuropeptide receptor A26 0.0462 0.5397 0.537
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0081 0.0122
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0052 0.0256 0.1009
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0193 0.2025 0.3176
Mycobacterium tuberculosis Probable oxidoreductase 0.0379 0.435 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0123 0.0334
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0882 0.1331
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0052 0.0256 0.1175
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0882 0.1331
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0341 0.3882 0.6174
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 1
Brugia malayi regulator of G-protein signaling rgs-7 0.0038 0.0081 0.0056
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0341 0.3882 0.8913
Loa Loa (eye worm) hypothetical protein 0.0106 0.0929 0.2134
Schistosoma mansoni inositol monophosphatase 0.0041 0.0123 0.0106
Trypanosoma brucei Metacaspase-4 0.0045 0.0175 0.0596
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0343 0.0461
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0193 0.2025 1
Trypanosoma cruzi metacaspase 5, putative 0.0045 0.0175 0.0596
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0039 0.0093 0.0213
Plasmodium vivax glutathione reductase, putative 0.0149 0.1478 1
Entamoeba histolytica hypothetical protein 0.0038 0.0081 0.0122
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0177 0.0406
Brugia malayi glutathione reductase 0.0149 0.1478 0.3306
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0374 0.0511
Echinococcus multilocularis regulator of G protein signaling 0.0038 0.0081 0.0024
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0187
Toxoplasma gondii hypothetical protein 0.004 0.0106 0.0346
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0284 0.0501
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.004 0.0106 0.0087
Giardia lamblia NADH oxidase lateral transfer candidate 0.0052 0.0256 0.0842
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0177 0.0278
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0052 0.0256 0.0436
Echinococcus multilocularis expressed protein 0.0038 0.0081 0.0024
Toxoplasma gondii melibiase subfamily protein 0.0102 0.0882 0.5803
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0052 0.0256 0.2803
Schistosoma mansoni ap endonuclease 0.0039 0.0093 0.0058
Entamoeba histolytica CAAX prenyl protease family 0.0193 0.2025 1
Schistosoma mansoni caspase-7 (C14 family) 0.0087 0.0703 0.1042
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Trypanosoma brucei RNA helicase, putative 0.0125 0.1173 0.5668
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0281 0.052
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0081 0.0122
Brugia malayi hypothetical protein 0.0042 0.0136 0.0182
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0882 0.1331
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0052 0.0256 0.1009
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0343 0.0639
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0038 0.0081 0.0039
Echinococcus granulosus neuropeptide s receptor 0.0462 0.5397 0.8619
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0123 0.0463
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0341 0.3874 0.8888
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0052 0.0256 0.0462
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0093 0.0214
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0052 0.0256 0.1009
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0284 0.0501
Echinococcus multilocularis apoptotic protease activating factor 1 0.0042 0.0136 0.0079
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0123 0.0549
Mycobacterium tuberculosis Probable integral membrane protein 0.004 0.0106 0.0087
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Echinococcus granulosus apoptotic protease activating factor 1 0.0042 0.0136 0.0126
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Echinococcus multilocularis chromobox protein 1 0.0071 0.0501 0.0446
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0341 0.3882 0.8913
Toxoplasma gondii NADPH-glutathione reductase 0.0052 0.0256 0.1397
Echinococcus multilocularis CAAX prenyl protease 2 0.0193 0.2025 0.1979
Echinococcus multilocularis regulator of G protein signaling 3 0.0038 0.0081 0.0024
Echinococcus multilocularis Regulator of G protein signaling 20 0.0038 0.0081 0.0024
Echinococcus multilocularis axis inhibition protein axin 0.0038 0.0081 0.0024
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0639 0.0939
Plasmodium falciparum thioredoxin reductase 0.0149 0.1478 1
Schistosoma mansoni alpha-glucosidase 0.0139 0.1352 0.209
Loa Loa (eye worm) hypothetical protein 0.0045 0.0175 0.0401
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0177 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0175 0.0596
Brugia malayi PXA domain containing protein 0.0038 0.0081 0.0056
Brugia malayi Regulator of G protein signaling domain containing protein 0.0038 0.0081 0.0056
Loa Loa (eye worm) fli-1 protein 0.0232 0.2508 0.5758
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0175 0.0596
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0123 0.0106
Echinococcus granulosus geminin 0.0531 0.6252 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0187
Loa Loa (eye worm) inositol-1 0.0041 0.0123 0.0283
Schistosoma mansoni ets-related 0.0232 0.2508 0.3956
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0052 0.0256 0.1009
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0374 0.0511
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1634 0.1586
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0457 0.2033
Echinococcus multilocularis regulator of G protein signaling 7 0.0038 0.0081 0.0024
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0057 0.0132
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.0106 0.025
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0374 0.0318
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0093 0.0182
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.1107 0.1694
Loa Loa (eye worm) hypothetical protein 0.0082 0.0639 0.1468
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1634 0.3669
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Echinococcus granulosus thioredoxin glutathione reductase 0.0149 0.1478 0.2293
Echinococcus multilocularis axis inhibition protein axin 0.0038 0.0081 0.0024
Trypanosoma cruzi metacaspase, putative 0.0045 0.0175 0.0596
Trypanosoma brucei metacaspase MCA2 0.0045 0.0175 0.0596
Schistosoma mansoni gabp alpha 0.0076 0.0563 0.0816
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0052 0.0256 0.2979
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0052 0.0256 0.1175
Echinococcus granulosus regulator of G protein signaling 7 0.0038 0.0081 0.0039
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0343 0.4573
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0093 0.0083
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0123 0.0066
Plasmodium vivax protease, putative 0.004 0.0106 0.0096
Plasmodium vivax metacaspase 1, putative 0.0045 0.0175 0.0588
Echinococcus multilocularis caspase 0.012 0.1107 0.1055
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0341 0.3874 0.8888
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0457 0.0646
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0052 0.0256 0.1397
Onchocerca volvulus 0.0094 0.078 0.839
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0284 0.0501
Plasmodium falciparum metacaspase 1 0.0045 0.0175 0.0588
Loa Loa (eye worm) hypothetical protein 0.0106 0.0929 0.2134
Loa Loa (eye worm) hypothetical protein 0.0153 0.1517 0.3484
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0343 0.4573
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0093 0.0182
Brugia malayi Ets-domain containing protein 0.0076 0.0563 0.1176
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0193 0.2025 1
Brugia malayi hypothetical protein 0.0264 0.2908 0.6632
Entamoeba histolytica hypothetical protein 0.0038 0.0081 0.0122
Schistosoma mansoni survival motor neuron protein 0.0054 0.0281 0.0361
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0052 0.0256 0.1009
Brugia malayi Fli-1 protein 0.0232 0.2508 0.5701
Mycobacterium ulcerans integral membrane protein 0.004 0.0106 0.0244
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0052 0.0256 0.1009
Brugia malayi Heterochromatin protein 1 0.0071 0.0501 0.1031
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0045 0.0175 0.0825
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0379 0.4355 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0106 0.0929 0.1408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0177 0.012
Echinococcus granulosus caspase 3 0.0074 0.054 0.0779
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0177 0.012
Trypanosoma brucei trypanothione reductase 0.0149 0.1478 0.722
Brugia malayi Thioredoxin reductase 0.0149 0.1478 0.3306
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0093 0.0182
Trypanosoma cruzi metacaspase, putative 0.0045 0.0175 0.0596
Brugia malayi Melibiase family protein 0.0068 0.0457 0.0931
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0038 0.0081 0.0187
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0081 0.0039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0177 0.0193
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0123 0.0334
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0052 0.0256 0.2979
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0038 0.0081 0.0039
Brugia malayi Muscleblind-like protein 0.0153 0.1517 0.3397
Echinococcus granulosus chromobox protein 1 0.0071 0.0501 0.0715
Loa Loa (eye worm) hypothetical protein 0.0153 0.1517 0.3484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Schistosoma mansoni hypothetical protein 0.0054 0.0281 0.0361
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0374 0.0511
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0343 0.0461
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 0.3943
Brugia malayi hypothetical protein 0.0038 0.0081 0.0056
Brugia malayi CAAX amino terminal protease family protein 0.0193 0.2025 0.4578
Mycobacterium ulcerans hypothetical protein 0.004 0.0106 0.0244
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0341 0.3882 0.3846
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0193 0.2025 1
Brugia malayi Probable ClpP-like protease 0.0082 0.0639 0.1354
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0256 0.1009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0187
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0038 0.0081 0.0024
Entamoeba histolytica hypothetical protein 0.0038 0.0081 0.0122
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.004 0.0106 0.0087
Echinococcus granulosus neuropeptide receptor A26 0.0462 0.5397 0.8619
Brugia malayi jmjC domain containing protein 0.0061 0.0374 0.0737
Schistosoma mansoni chromobox protein 0.0071 0.0501 0.0715
Echinococcus granulosus chromobox protein 1 0.0071 0.0501 0.0715
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0343 0.0287
Loa Loa (eye worm) hypothetical protein 0.0068 0.0457 0.105
Toxoplasma gondii thioredoxin reductase 0.0149 0.1478 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0343 0.1451
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0038 0.0081 0.0039
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0284 0.0228
Schistosoma mansoni hypothetical protein 0.0531 0.6252 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0123 0.0334
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.2908 0.2867
Onchocerca volvulus 0.0042 0.0136 0.1459
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0379 0.435 1
Schistosoma mansoni hypothetical protein 0.0042 0.0136 0.0126
Plasmodium falciparum glutathione reductase 0.0052 0.0256 0.1175
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0146 0.0451
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.0563 0.0508
Treponema pallidum NADH oxidase 0.0052 0.0256 0.2979
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0123 0.0334
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0177 0.0193
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0379 0.435 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0175 0.0596
Giardia lamblia Hypothetical protein 0.0193 0.2025 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0052 0.0256 0.02
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0177 0.0193
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.0106 0.025
Brugia malayi hypothetical protein 0.0038 0.0081 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0175 0.0596
Echinococcus multilocularis caspase 3 0.0074 0.054 0.0485
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0038 0.0081 0.0039
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0081 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0108 0.0258
Trypanosoma cruzi metacaspase, putative 0.0045 0.0175 0.0596
Onchocerca volvulus 0.0054 0.0281 0.3021
Loa Loa (eye worm) hypothetical protein 0.004 0.0108 0.0248
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 1
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0081 0.0039
Echinococcus granulosus axis inhibition protein axin 0.0038 0.0081 0.0039
Treponema pallidum hypothetical protein 0.004 0.0106 0.0244
Echinococcus multilocularis beta adrenergic receptor kinase 0.0039 0.0093 0.0036
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0341 0.3874 0.8888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0177 0.0193
Loa Loa (eye worm) hypothetical protein 0.0042 0.0136 0.0311
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0146 0.1572
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0052 0.0256 0.1175
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0284 0.0366
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0052 0.0256 0.032
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0052 0.0256 0.1009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0052 0.0256 0.2979
Loa Loa (eye worm) glutathione reductase 0.0149 0.1478 0.3394
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0457 0.0646
Echinococcus multilocularis muscleblind protein 0.0153 0.1517 0.1469
Trichomonas vaginalis mercuric reductase, putative 0.0052 0.0256 0.1009
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0081 0.0122
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0187
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0123 0.0549
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0123 0.0334
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0108 0.1163
Schistosoma mansoni chromobox protein 0.0071 0.0501 0.0715
Echinococcus granulosus CAAX prenyl protease 2 0.0193 0.2025 0.3176
Onchocerca volvulus Cell death protein 3 homolog 0.0087 0.0703 0.7559
Plasmodium falciparum protease, putative 0.004 0.0106 0.0096
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0045 0.0175 0.0825
Brugia malayi regulator of G-protein signaling egl-10 0.0038 0.0081 0.0056
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0379 0.435 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0187
Loa Loa (eye worm) hypothetical protein 0.0065 0.0424 0.0974
Schistosoma mansoni z-protein (S1r protein) 0.0038 0.0081 0.0039
Echinococcus granulosus muscleblind protein 0.0153 0.1517 0.2357
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0081 0.0039
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0123 0.0334
Schistosoma mansoni alpha-glucosidase 0.0139 0.1352 0.209
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0052 0.0256 0.1009
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0379 0.4355 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0341 0.3882 0.8898
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0081 0.0122
Echinococcus multilocularis chromobox protein 1 0.0071 0.0501 0.0446
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0639 0.4095
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Loa Loa (eye worm) thioredoxin reductase 0.0149 0.1478 0.3394
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.2908 0.4601
Echinococcus granulosus regulator of G protein signaling 3 0.0038 0.0081 0.0039
Mycobacterium tuberculosis Probable reductase 0.0341 0.3874 0.8888
Schistosoma mansoni axis inhibition protein axin 0.0038 0.0081 0.0039
Trypanosoma cruzi metacaspase 5, putative 0.0045 0.0175 0.0596
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0374 0.0859
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0038 0.0081 0.0122
Mycobacterium ulcerans hypothetical protein 0.004 0.0106 0.0244
Loa Loa (eye worm) hypothetical protein 0.0264 0.2908 0.6676
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0081 0.0122
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0093 0.0182
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0341 0.3874 0.8888
Onchocerca volvulus 0.0093 0.077 0.8281
Echinococcus granulosus regulator of G protein signaling 7 0.0038 0.0081 0.0039
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0052 0.0256 0.1009
Loa Loa (eye worm) PXA domain-containing protein 0.0038 0.0081 0.0187
Echinococcus multilocularis regulator of G protein signaling 7 0.0038 0.0081 0.0024
Schistosoma mansoni hypothetical protein 0.0125 0.1173 0.18
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0293 0.0673
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0093 0.0036
Brugia malayi PXA domain containing protein 0.0038 0.0081 0.0056
Trypanosoma cruzi metacaspase, putative 0.0045 0.0175 0.0596
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0093 0.0182
Brugia malayi chromobox protein homolog 3 0.004 0.0108 0.0118
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0052 0.0256 0.1175
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0106 0.0929 0.1408
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.1107 0.1055
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0045 0.0175 0.0825
Brugia malayi Regulator of G protein signaling domain containing protein 0.0038 0.0081 0.0056
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0374 0.0511
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0639 0.1332
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0081 0.0122
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0193 0.2025 0.3176
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0193 0.2025 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0639 1
Plasmodium falciparum thioredoxin reductase 0.0052 0.0256 0.1175
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0123 0.0334
Echinococcus granulosus axis inhibition protein axin 0.0038 0.0081 0.0039
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0149 0.1478 0.3291
Trypanosoma brucei CAAX amino terminal protease, putative 0.0193 0.2025 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0374 0.0318
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0639 0.4095
Echinococcus multilocularis caspase 8 0.0045 0.0175 0.0118
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1634 0.3752
Echinococcus granulosus regulator of G protein signaling 3 0.0038 0.0081 0.0039
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0045 0.0175 0.0596
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0052 0.0256 0.032
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0501 0.2252
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0374 0.0511
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0501 0.2252
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0081 0.0039
Schistosoma mansoni inositol monophosphatase 0.0041 0.0123 0.0106
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0052 0.0256 0.2979
Echinococcus granulosus beta-adrenergic receptor kinase 0.0039 0.0093 0.0057
Echinococcus multilocularis thioredoxin glutathione reductase 0.0149 0.1478 0.1429
Loa Loa (eye worm) hypothetical protein 0.0193 0.2025 0.465
Schistosoma mansoni hypothetical protein 0.0531 0.6252 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0639 0.3943
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.1107 0.1694
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1634 0.2546
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0175 0.0588
Trypanosoma brucei metacaspase 5, putative 0.0045 0.0175 0.0596
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0175 0.0596
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.0563 0.0816
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.0563 0.1292
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0146 0.0451
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0882 0.1331
Brugia malayi Cell death protein 3 precursor 0.0087 0.0703 0.1501
Echinococcus multilocularis neuropeptide s receptor 0.0462 0.5397 0.537
Onchocerca volvulus 0.0106 0.0929 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.0882 0.0829
Loa Loa (eye worm) hypothetical protein 0.0087 0.0703 0.1613
Toxoplasma gondii exonuclease III APE 0.0039 0.0093 0.0252

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 15.1 uM Cytotoxicity against human MT4 cells after 5 days by MTT assay ChEMBL. 19719237
IC50 (binding) = 7.11 Inhibition of HIV-1 integrase ChEMBL. 20488589
IC50 (binding) = 0.077 uM Inhibition of HIV1 integrase strand transfer activity ChEMBL. 19719237

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

No literature references available for this target.

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