Detailed information for compound 676813

Basic information

Technical information
  • TDR Targets ID: 676813
  • Name: 4-(4-chlorophenoxy)-N-(1-phenylethyl)butanami de
  • MW: 317.81 | Formula: C18H20ClNO2
  • H donors: 1 H acceptors: 1 LogP: 4.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1ccccc1)C)CCCOc1ccc(cc1)Cl
  • InChi: 1S/C18H20ClNO2/c1-14(15-6-3-2-4-7-15)20-18(21)8-5-13-22-17-11-9-16(19)10-12-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21)
  • InChiKey: JDEZFNQOUZSGDO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorophenoxy)-N-(1-phenylethyl)butyramide
  • MLS000663938
  • SMR000270549
  • ST5191584

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Loa Loa (eye worm) MH2 domain-containing protein 0.0479 0.3444 0.9509
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0159 0.0228
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Schistosoma mansoni ap endonuclease 0.0037 0.0159 0.0159
Echinococcus multilocularis muscleblind protein 0.0312 0.2202 0.2202
Leishmania major GTP-binding protein, putative 0.0022 0.0048 0.007
Brugia malayi RNA binding protein 0.0203 0.1396 0.3832
Mycobacterium tuberculosis Conserved protein 0.0075 0.0444 0.108
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0153 0.051
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0173 0.0173
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0095 0.0589 0.118
Loa Loa (eye worm) hypothetical protein 0.0021 0.0042 0.0079
Brugia malayi Calcitonin receptor-like protein seb-1 0.0206 0.1417 0.389
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0026 0.008 0.008
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0026 0.008 0.4137
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0026 0.0026
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.0325 0.0325
Loa Loa (eye worm) Smad1 0.0033 0.0128 0.0317
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0065 0.037 0.0988
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0674 0.4891 1
Brugia malayi MH2 domain containing protein 0.0479 0.3444 0.9509
Trichomonas vaginalis esterase, putative 0.0075 0.0444 0.1572
Brugia malayi hypothetical protein 0.0503 0.3621 1
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.037
Echinococcus granulosus muscleblind protein 0.0312 0.2202 0.2202
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0444 0.108
Mycobacterium ulcerans lipase LipD 0.0075 0.0444 0.1365
Echinococcus multilocularis cysteine protease 0.0017 0.0014 0.0014
Brugia malayi TAR-binding protein 0.0203 0.1396 0.3832
Schistosoma mansoni ap endonuclease 0.0037 0.0159 0.0159
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0159 0.0296
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0159 0.9101
Loa Loa (eye worm) beta-lactamase 0.0075 0.0444 0.1193
Brugia malayi Importin beta-1 subunit 0.003 0.0106 0.0257
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0173 0.0173
Mycobacterium tuberculosis Conserved hypothetical protein 0.0355 0.2522 0.7234
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0374 0.0739
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0086 0.0148
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0086 0.0264
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0095 0.0589 0.118
Plasmodium vivax glutathione reductase, putative 0.004 0.0185 0.0626
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0114 0.0367
Plasmodium falciparum enoyl-acyl carrier reductase 0.0386 0.2752 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Onchocerca volvulus 0.0021 0.0042 0.0176
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0332 0.0652
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0206 0.1417 0.389
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0086 0.0078
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0173 0.0581
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.0933 0.2547
Entamoeba histolytica Ran family GTPase 0.0022 0.0048 0.2155
Brugia malayi MH2 domain containing protein 0.0033 0.0128 0.0317
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0444 0.0883
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0086 0.0264
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0026 0.008 0.0241
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.0569 0.1451
Schistosoma mansoni lipoxygenase 0.0021 0.0042 0.0042
Onchocerca volvulus 0.0031 0.0114 0.062
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.0461 0.0461
Schistosoma mansoni ets-related 0.0235 0.1634 0.1634
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0185 0.0352
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.2244 0.6182
Plasmodium falciparum glutathione reductase 0.004 0.0185 0.0626
Loa Loa (eye worm) hypothetical protein 0.0026 0.008 0.0183
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0086 0.0264
Brugia malayi Smad1 0.0033 0.0128 0.0317
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.1193
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.1193
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0374 0.0739
Schistosoma mansoni hypothetical protein 0.0317 0.2244 0.2244
Brugia malayi glutathione reductase 0.004 0.0185 0.0475
Schistosoma mansoni Smad4 0.0033 0.0128 0.0128
Echinococcus granulosus Smad4 0.0033 0.0128 0.0128
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0159 0.5
Brugia malayi Ets-domain containing protein 0.0077 0.0461 0.1241
Mycobacterium ulcerans hypothetical protein 0.0075 0.0444 0.1365
Leishmania major cathepsin L-like protease 0.0066 0.0374 0.0739
Loa Loa (eye worm) hypothetical protein 0.0027 0.0086 0.02
Toxoplasma gondii thioredoxin reductase 0.004 0.0185 0.0626
Trypanosoma brucei pteridine reductase 1 0.0026 0.008 0.0065
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0128 0.0128
Loa Loa (eye worm) TAR-binding protein 0.0203 0.1396 0.3832
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.037 0.037
Onchocerca volvulus 0.0075 0.0444 0.2653
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0444 0.1193
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0173 0.0581
Loa Loa (eye worm) hypothetical protein 0.0018 0.002 0.0016
Onchocerca volvulus 0.0026 0.008 0.0406
Schistosoma mansoni transcription factor btf3 0.0036 0.0153 0.0153
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.0646 0.2118
Loa Loa (eye worm) glutathione reductase 0.004 0.0185 0.0475
Schistosoma mansoni smad 0.0033 0.0128 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.134 0.134
Loa Loa (eye worm) hypothetical protein 0.0141 0.0933 0.2547
Plasmodium falciparum importin beta, putative 0.003 0.0106 0.0338
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0106 0.012
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0086 0.0148
Echinococcus granulosus transcription factor btf3 0.0036 0.0153 0.0153
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0503 0.3621 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.1193
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0042 0.0079
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.0569 0.1451
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0014 0.0014
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0386 0.2752 1
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0153 0.0387
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0444 0.108
Schistosoma mansoni smad1 5 8 and 0.0033 0.0128 0.0128
Brugia malayi Doublecortin family protein 0.0021 0.0042 0.0079
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0153 0.0286
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0196 0.134 0.3676
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0114 0.0114
Echinococcus granulosus snurportin 1 0.0317 0.2244 0.2244
Trichomonas vaginalis hypothetical protein 0.0386 0.2752 1
Trichomonas vaginalis ran, putative 0.0022 0.0048 0.0125
Brugia malayi hypothetical protein 0.0027 0.0086 0.02
Brugia malayi Thioredoxin reductase 0.004 0.0185 0.0475
Echinococcus multilocularis importin subunit beta 1 0.003 0.0106 0.0106
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0026 0.008 0.0183
Brugia malayi MH1 domain containing protein 0.0033 0.0128 0.0317
Echinococcus granulosus cpg binding protein 0.0061 0.0338 0.0338
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.0125
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0159 0.0529
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0444 0.1572
Schistosoma mansoni ran 0.0022 0.0048 0.0048
Trypanosoma brucei glucosidase, putative 0.0039 0.0173 0.0258
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0114 0.0114
Leishmania major trypanothione reductase 0.004 0.0185 0.0352
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.037 0.0988
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0444 0.1365
Schistosoma mansoni ran 0.0022 0.0048 0.0048
Trichomonas vaginalis set domain proteins, putative 0.0236 0.1637 0.5926
Echinococcus multilocularis tar DNA binding protein 0.0203 0.1396 0.1396
Schistosoma mansoni dihydropteridine reductase 0.0026 0.008 0.008
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0086 0.0264
Echinococcus granulosus lysosomal alpha glucosidase 0.0174 0.1181 0.1181
Echinococcus multilocularis smad 0.0033 0.0128 0.0128
Loa Loa (eye worm) transcription factor SMAD2 0.0479 0.3444 0.9509
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.008 0.0135
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0185 0.0313
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0042 0.0104
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0042 0.0104
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.0095
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.008 0.0135
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0026 0.008 0.008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0115 0.0743 0.1496
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.037 0.0988
Echinococcus multilocularis microtubule associated protein 2 0.1361 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0203 0.1396 0.3832
Brugia malayi CXXC zinc finger family protein 0.0058 0.0314 0.0831
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.134 0.134
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0153 0.051
Brugia malayi MH1 domain containing protein 0.0018 0.002 0.0016
Schistosoma mansoni rab6-interacting 0.0021 0.0042 0.0042
Onchocerca volvulus 0.0075 0.0444 0.2653
Schistosoma mansoni tar DNA-binding protein 0.0203 0.1396 0.1396
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.038 0.1122
Schistosoma mansoni rab6-interacting 0.0021 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0206 0.1417 0.389
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0114 0.0114
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.0325 0.0325
Onchocerca volvulus 0.0101 0.0635 0.3827
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0444 0.0444
Schistosoma mansoni cpg binding protein 0.0061 0.0338 0.0338
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0095 0.0589 0.1118
Trypanosoma brucei oxidoreductase-like protein 0.0026 0.008 0.0065
Mycobacterium leprae Probable lipase LipE 0.0075 0.0444 0.1365
Schistosoma mansoni hypothetical protein 0.0141 0.0933 0.0933
Loa Loa (eye worm) oxidoreductase 0.0026 0.008 0.0183
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0159 0.0402
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0042 0.0042
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0173 0.0326
Schistosoma mansoni loxhd1 0.0021 0.0042 0.0042
Brugia malayi RNA, U transporter 1 0.0085 0.0514 0.1386
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0128 0.0128
Echinococcus granulosus cathepsin l1 0.0017 0.0014 0.0014
Brugia malayi Latrophilin receptor protein 2 0.0065 0.037 0.0988
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0444 0.1572
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0444 0.108
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0114 0.0114
Onchocerca volvulus 0.0103 0.0648 0.3905
Schistosoma mansoni hypothetical protein 0.0539 0.3893 0.3893
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0106 0.012
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0444 0.1365
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0159 0.0234
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0153 0.051
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0128 0.0128
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.038 0.1336
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0042 0.0042
Brugia malayi MH1 domain containing protein 0.0018 0.002 0.0016
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0185 0.0475
Loa Loa (eye worm) retinol dehydrogenase 12 0.0026 0.008 0.0183
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0173 0.0581
Schistosoma mansoni tar DNA-binding protein 0.0203 0.1396 0.1396
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0312 0.2202 0.6067
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0026 0.008 0.0135
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0026 0.008 0.008
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.0646 0.1677
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 0.134 0.134
Schistosoma mansoni hypothetical protein 0.0539 0.3893 0.3893
Loa Loa (eye worm) hypothetical protein 0.0312 0.2202 0.6067
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0159 0.0296
Onchocerca volvulus 0.0021 0.0042 0.0176
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0159 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0048 0.0125
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0374 0.0739
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0374 0.0739
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0153 0.8767
Onchocerca volvulus 0.0075 0.0444 0.2653
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0114 0.0114
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.038 0.038
Toxoplasma gondii ABC1 family protein 0.0075 0.0444 0.1572
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0674 0.4891 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Loa Loa (eye worm) RNA binding protein 0.0203 0.1396 0.3832
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.038 0.1122
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0026 0.008 0.0065
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0103 0.0648 0.0648
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0048 0.007
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0159 0.0159
Plasmodium vivax importin-beta 2, putative 0.003 0.0106 0.0338
Brugia malayi Glycosyl hydrolases family 31 protein 0.0174 0.1181 0.3236
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0106 0.0338
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.0569 0.1451
Onchocerca volvulus 0.0058 0.0314 0.1847
Plasmodium falciparum thioredoxin reductase 0.004 0.0185 0.0626
Echinococcus multilocularis RUN 0.0021 0.0042 0.0042
Echinococcus multilocularis snurportin 1 0.0317 0.2244 0.2244
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0319 0.2254 0.4594
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0444 0.1365
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0444 0.1572
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0444 0.108
Schistosoma mansoni importin beta-1 0.003 0.0106 0.0106
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0386 0.2752 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0128 0.0317
Schistosoma mansoni tar DNA-binding protein 0.0203 0.1396 0.1396
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0159 0.0159
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.1181 0.1181
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.1181 0.1181
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0159 0.0297
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0444 0.108
Echinococcus multilocularis transcription factor btf3 0.0036 0.0153 0.0153
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0026 0.0026
Brugia malayi hypothetical protein 0.0021 0.0042 0.0079
Schistosoma mansoni smad1 5 8 and 0.0033 0.0128 0.0128
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.0646 0.1677
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.0569 0.1451
Toxoplasma gondii hypothetical protein 0.0109 0.0693 0.248
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0444 0.108
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0014 0.0014
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0444 0.1572
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0159 0.0297
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0386 0.2752 1
Echinococcus multilocularis survival motor neuron protein 1 0.0503 0.3621 0.3621
Echinococcus multilocularis cysteine protease 0.0017 0.0014 0.0014
Leishmania major hypothetical protein, conserved 0.0075 0.0444 0.0883
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.038 0.038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.134 0.134
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0048 0.0048
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0189 0.0189
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0386 0.2752 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0444 0.1193
Schistosoma mansoni polycystin 1-related 0.0021 0.0042 0.0042
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.1425 0.3912
Echinococcus granulosus GPCR family 2 0.0065 0.037 0.037
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.027 0.0525
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0674 0.4891 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 0.134 0.134
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0444 0.0883
Leishmania major cathepsin L-like protease 0.0066 0.0374 0.0739
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0048 0.0125
Schistosoma mansoni smad1 5 8 and 0.0033 0.0128 0.0128
Brugia malayi MH1 domain containing protein 0.0033 0.0128 0.0317
Echinococcus granulosus survival motor neuron protein 1 0.0503 0.3621 0.3621
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0153 0.051
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0173 0.0581
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0014 0.0014
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.1193
Leishmania major basic transcription factor 3a, putative 0.0036 0.0153 0.0286
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0128 0.0128
Mycobacterium tuberculosis Probable reductase 0.0092 0.0569 0.1451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Echinococcus granulosus smad 0.0033 0.0128 0.0128
Schistosoma mansoni alpha glucosidase 0.0039 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0422 0.3019 0.3019
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.0095
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0026 0.008 0.0241
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0173 0.0581
Loa Loa (eye worm) hypothetical protein 0.0031 0.0114 0.0279
Schistosoma mansoni microtubule-associated protein tau 0.1361 1 1
Echinococcus multilocularis GPCR, family 2 0.0065 0.037 0.037
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0173 1
Brugia malayi Ets-domain containing protein 0.0077 0.0461 0.1241
Echinococcus granulosus dnaJ subfamily B 0.0422 0.3019 0.3019
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.038 0.075
Brugia malayi hypothetical protein 0.0017 0.0015 0.0003
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0042 0.0042
Entamoeba histolytica hypothetical protein 0.0024 0.0065 0.3194
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0153 0.0286
Brugia malayi beta-lactamase family protein 0.0075 0.0444 0.1193
Mycobacterium ulcerans hypothetical protein 0.0355 0.2522 0.9138
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0024 0.0029
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.0461 0.0461
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.0569 0.1451
Entamoeba histolytica hypothetical protein 0.0036 0.0153 0.8767
Echinococcus granulosus importin subunit beta 1 0.003 0.0106 0.0106
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0185 0.0626
Schistosoma mansoni cpg binding protein 0.0061 0.0338 0.0338
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.038 0.038
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0128 0.0317
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0014 0.0014
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0014 0.0014
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0014 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0173 0.0326
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0092 0.0569 0.1832
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0065 0.0104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.134 0.134
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0153 0.051
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.008 0.0183
Schistosoma mansoni tar DNA-binding protein 0.0203 0.1396 0.1396
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0444 0.0444
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0026 0.008 0.0135
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0386 0.2752 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0173 0.0441
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.038 0.0888
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0314 0.0831
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0159 0.0402
Echinococcus multilocularis Smad4 0.0033 0.0128 0.0128
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0319 0.2254 0.4594
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.038 0.1122
Schistosoma mansoni gabp alpha 0.0077 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.1193
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0048 0.007
Loa Loa (eye worm) hypothetical protein 0.003 0.0106 0.0257
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0173 0.0581
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0174 0.1181 0.3236
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 0.134 0.134
Echinococcus granulosus geminin 0.0539 0.3893 0.3893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0374 0.0674
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.037
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0042 0.0042
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0065 0.0186
Echinococcus granulosus tar DNA binding protein 0.0203 0.1396 0.1396
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0159 0.0529
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0386 0.2752 1
Leishmania major hypothetical protein, conserved 0.0027 0.0086 0.0148
Brugia malayi beta-lactamase 0.0075 0.0444 0.1193
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0107 0.0257
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.037 0.037
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0173 0.0441
Brugia malayi Cytochrome P450 family protein 0.003 0.0107 0.0257
Onchocerca volvulus 0.0236 0.1637 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.0461 0.1241
Onchocerca volvulus 0.0026 0.008 0.0406
Brugia malayi Pre-SET motif family protein 0.0207 0.1425 0.3912
Schistosoma mansoni lipoxygenase 0.0059 0.0325 0.0325
Mycobacterium tuberculosis Conserved protein 0.0075 0.0444 0.108
Leishmania major cathepsin L-like protease 0.0066 0.0374 0.0739
Mycobacterium tuberculosis Possible penicillin-binding protein 0.048 0.3456 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.0646 0.1677
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0026 0.008 0.0241
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0173 0.0326
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0026 0.008 0.0241
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0444 0.0444
Toxoplasma gondii histone lysine methyltransferase SET1 0.011 0.0705 0.2523
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0042 0.0042
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0014 0.0014
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0159 0.0529
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0065 0.0186
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.1193
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.037 0.037
Leishmania major importin beta-1 subunit, putative 0.0024 0.0065 0.0104
Echinococcus multilocularis dnaJ subfamily B 0.0422 0.3019 0.3019
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0026 0.0034
Echinococcus multilocularis geminin 0.0539 0.3893 0.3893
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0206 0.1417 0.389
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0159 0.0529
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0444 0.1572
Brugia malayi beta-NAC-like protein 0.0036 0.0153 0.0387
Brugia malayi Fli-1 protein 0.0235 0.1634 0.4491
Mycobacterium ulcerans beta-lactamase 0.0075 0.0444 0.1365
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.037
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0114 0.0114
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0319 0.2254 0.4556
Schistosoma mansoni cpg binding protein 0.0058 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0021 0.0042 0.0079
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0153 0.0217
Schistosoma mansoni survival motor neuron protein 0.0103 0.0648 0.0648
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.008 0.0183
Brugia malayi Muscleblind-like protein 0.0312 0.2202 0.6067
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0444 0.1572
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0173 0.0581
Brugia malayi hypothetical protein 0.0021 0.0042 0.0079
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.037
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0173 0.0581
Plasmodium vivax SET domain protein, putative 0.0031 0.0114 0.0367
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0095 0.0589 0.118
Schistosoma mansoni alpha-glucosidase 0.015 0.1001 0.1001
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0042 0.0042
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0444 0.108
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0196 0.134 0.3676
Mycobacterium tuberculosis Conserved protein 0.0075 0.0444 0.108
Leishmania major pteridine reductase 1 0.0026 0.008 0.0135
Loa Loa (eye worm) hypothetical protein 0.0066 0.0378 0.1009
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.038 0.038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0114 0.0114
Schistosoma mansoni tar DNA-binding protein 0.0203 0.1396 0.1396
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0173 0.0581
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0159 0.0297
Brugia malayi beta-lactamase family protein 0.0075 0.0444 0.1193
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0.008 0.0135
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0128 0.0128
Loa Loa (eye worm) fli-1 protein 0.0235 0.1634 0.4491
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0048 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0153 0.051
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0444 0.0818
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0065 0.0186
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0386 0.2752 0.7916
Leishmania major oxidoreductase-like protein 0.0026 0.008 0.0135
Brugia malayi Pre-SET motif family protein 0.0031 0.0114 0.0279
Loa Loa (eye worm) nuclear factor I 0.0018 0.002 0.0016
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0173 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0026 0.008 0.0241
Echinococcus multilocularis muscleblind protein 1 0.0312 0.2202 0.2202
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0203 0.1396 0.3832
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0103 0.0648 0.1757
Toxoplasma gondii exonuclease III APE 0.0037 0.0159 0.0529
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0173 0.0581
Schistosoma mansoni alpha-glucosidase 0.015 0.1001 0.1001
Trypanosoma brucei trypanothione reductase 0.004 0.0185 0.0283
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0123 0.0802 0.0802
Brugia malayi MH2 domain containing protein 0.0033 0.0128 0.0317
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0.008 0.0135
Echinococcus multilocularis cpg binding protein 0.0061 0.0338 0.0338
Leishmania major mitochondrial DNA polymerase beta 0.0674 0.4891 1
Schistosoma mansoni hypothetical protein 0.0021 0.0042 0.0042
Echinococcus granulosus RUN 0.0021 0.0042 0.0042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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