Detailed information for compound 1758580

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 509.617 | Formula: C27H31N3O5S
  • H donors: 2 H acceptors: 3 LogP: 3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]1COC[C@@H]2[C@@H](N(C1)Cc1ccc(cc1)Oc1ccccc1)CC[C@H](O2)CC(=O)Nc1nccs1
  • InChi: 1S/C27H31N3O5S/c31-20-16-30(15-19-6-8-22(9-7-19)34-21-4-2-1-3-5-21)24-11-10-23(35-25(24)18-33-17-20)14-26(32)29-27-28-12-13-36-27/h1-9,12-13,20,23-25,31H,10-11,14-18H2,(H,28,29,32)/t20-,23+,24+,25-/m1/s1
  • InChiKey: HOVDDXWDVMUCEB-AKAGGGOCSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.1194 0.3888
Schistosoma mansoni chromobox protein 0.0073 0.0716 0.1121
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0038
Onchocerca volvulus 0.0057 0.0518 0.1113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0217 0.0321
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0049 0.0078
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0312 0.3565 0.5673
Loa Loa (eye worm) hypothetical protein 0.0031 0.0217 0.0284
Echinococcus granulosus intermediate filament protein 0.0057 0.0518 0.0769
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0436 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0091 0.0926 0.1425
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0038
Mycobacterium tuberculosis Carboxylesterase LipT 0.0091 0.0926 0.2978
Onchocerca volvulus Huntingtin homolog 0.0252 0.2847 1
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0038
Trichomonas vaginalis spcc417.12 protein, putative 0.0091 0.0926 0.3178
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.036 0.055
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0416 0.064
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0103 0.1071 0.1035
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0436 0.0635
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0205 0.0328
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1071 0.1691
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.017 0.1445
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.1345 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0091 0.0926 0.1458
Brugia malayi Carboxylesterase family protein 0.0538 0.6252 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0333 0.1028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0468 0.0687
Onchocerca volvulus 0.0043 0.036 0.0509
Schistosoma mansoni neuroligin 3 (S09 family) 0.0091 0.0926 0.1458
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0416 0.0605
Onchocerca volvulus Huntingtin homolog 0.0252 0.2847 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0091 0.0926 0.1458
Brugia malayi P38 map kinase family protein 2 0.0312 0.3565 0.5702
Loa Loa (eye worm) hypothetical protein 0.0252 0.2847 0.4518
Loa Loa (eye worm) hypothetical protein 0.0032 0.0227 0.0299
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Echinococcus multilocularis carboxylesterase 5A 0.0538 0.6252 0.6236
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.017 0.0207
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.0716 0.1087
Echinococcus granulosus para nitrobenzyl esterase 0.0091 0.0926 0.1425
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.017 0.0438
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0422 0.0674
Schistosoma mansoni acetylcholinesterase 0.0091 0.0926 0.1458
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0159 0.0314
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.1194 0.8592
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0416 0.0377
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0312 0.3565 1
Onchocerca volvulus 0.0249 0.281 0.986
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0518 0.0769
Schistosoma mansoni hypothetical protein 0.0178 0.1966 0.3126
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.245 0.3879
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0637 0.1019
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0325 0.0786
Echinococcus multilocularis acetylcholinesterase 0.0538 0.6252 0.6236
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0049 0.0298
Echinococcus granulosus lamin 0.0057 0.0518 0.0769
Loa Loa (eye worm) hypothetical protein 0.0036 0.027 0.0369
Loa Loa (eye worm) hypothetical protein 0.0026 0.0157 0.0186
Treponema pallidum NADH oxidase 0.0017 0.0049 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0159 0.2855
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0159 0.2855
Plasmodium vivax glutathione reductase, putative 0.005 0.0436 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0103 0.1071 0.1659
Loa Loa (eye worm) hypothetical protein 0.0238 0.2678 0.4246
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0436 0.0635
Onchocerca volvulus 0.0091 0.0926 0.2669
Brugia malayi intermediate filament protein 0.0057 0.0518 0.0829
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0416 0.0666
Plasmodium falciparum flap endonuclease 1 0.0027 0.017 0.3125
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0169 0.0206
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.017 0.0344
Schistosoma mansoni flap endonuclease-1 0.0025 0.0138 0.0194
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.1194 0.3888
Loa Loa (eye worm) carboxylesterase 0.0538 0.6252 1
Brugia malayi Melibiase family protein 0.0069 0.0662 0.1059
Brugia malayi RNA binding protein 0.0067 0.0637 0.1019
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0205 0.0264
Trichomonas vaginalis set domain proteins, putative 0.0249 0.281 1
Echinococcus multilocularis neuroligin 0.0091 0.0926 0.0889
Mycobacterium ulcerans carboxylesterase, LipT 0.0091 0.0926 0.2978
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.1345 0.4399
Echinococcus granulosus neuroligin 0.0091 0.0926 0.1425
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0041 0.0066
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0159 0.0314
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0416 0.0605
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0312 0.3565 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0091 0.0926 0.1458
Schistosoma mansoni lamin 0.0057 0.0518 0.0804
Schistosoma mansoni inositol monophosphatase 0.004 0.0325 0.0494
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0049 0.0008
Onchocerca volvulus 0.0091 0.0926 0.2669
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0091 0.0926 0.2978
Loa Loa (eye worm) hypothetical protein 0.0026 0.0159 0.019
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0325 0.0458
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1071 0.1691
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0091 0.0926 0.3178
Echinococcus multilocularis lamin 0.0057 0.0518 0.0479
Brugia malayi Carboxylesterase family protein 0.0091 0.0926 0.1482
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0312 0.3565 1
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.017 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0436 0.1313
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0416 0.064
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1071 0.1691
Schistosoma mansoni survival motor neuron protein 0.0049 0.0422 0.0649
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0217 0.1898
Echinococcus multilocularis flap endonuclease 1 0.0027 0.017 0.0129
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0716 0.2417
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0325 0.1001
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0333 0.1028
Loa Loa (eye worm) hypothetical protein 0.0052 0.0468 0.0687
Schistosoma mansoni hypothetical protein 0.0178 0.1966 0.3126
Brugia malayi hypothetical protein 0.0252 0.2847 0.4554
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.2678 0.4246
Brugia malayi Carboxylesterase family protein 0.0091 0.0926 0.1482
Brugia malayi glutathione reductase 0.005 0.0436 0.0697
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.019 0.0511
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0325 0.1001
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.017 0.3125
Onchocerca volvulus 0.0057 0.0518 0.1113
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0325 0.0285
Echinococcus granulosus tar DNA binding protein 0.0067 0.0637 0.096
Schistosoma mansoni inositol monophosphatase 0.004 0.0325 0.0494
Echinococcus multilocularis mitogen activated protein kinase 14 0.0312 0.3565 0.3538
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0169 0.0129
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.0662 0.1035
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0049 0.0298
Loa Loa (eye worm) hypothetical protein 0.0538 0.6252 1
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0038
Schistosoma mansoni intermediate filament proteins 0.0057 0.0518 0.0804
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.019 0.0511
Mycobacterium tuberculosis Probable reductase 0.0113 0.1194 0.3888
Loa Loa (eye worm) hypothetical protein 0.0057 0.0518 0.0769
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0325 0.2921
Brugia malayi hypothetical protein 0.0017 0.0047 0.0076
Leishmania major hypothetical protein, conserved 0.0026 0.0159 0.0314
Echinococcus granulosus geminin 0.0178 0.1966 0.31
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0637 0.0994
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.1345 0.4399
Onchocerca volvulus 0.0091 0.0926 0.2669
Schistosoma mansoni chromobox protein 0.0073 0.0716 0.1121
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0637 0.096
Echinococcus multilocularis mitogen activated protein kinase 11 0.0312 0.3565 0.3538
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.1194 0.3888
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0637 0.0994
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0468 0.0749
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0325 0.0786
Echinococcus multilocularis acetylcholinesterase 0.0538 0.6252 0.6236
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.2678 0.2648
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0518 0.0829
Onchocerca volvulus 0.0091 0.0926 0.2669
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.1194 0.3888
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0436 0.0396
Echinococcus granulosus BC026374 protein S09 family 0.0091 0.0926 0.1425
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0325 0.1001
Echinococcus granulosus acetylcholinesterase 0.0538 0.6252 1
Toxoplasma gondii thioredoxin reductase 0.005 0.0436 0.3969
Onchocerca volvulus 0.0091 0.0926 0.2669
Trichomonas vaginalis chromobox protein, putative 0.0044 0.037 0.1163
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0333 0.0403
Echinococcus granulosus flap endonuclease 1 0.0027 0.017 0.0207
Brugia malayi Thioredoxin reductase 0.005 0.0436 0.0697
Brugia malayi hypothetical protein 0.0238 0.2678 0.4284
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0637 0.0994
Mycobacterium ulcerans short chain dehydrogenase 0.0265 0.2996 1
Schistosoma mansoni hypothetical protein 0.0049 0.0422 0.0649
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0637 0.0994
Brugia malayi Carboxylesterase family protein 0.0091 0.0926 0.1482
Brugia malayi Pre-SET motif family protein 0.0219 0.245 0.3919
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0637 0.096
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.1194 0.3888
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0159 0.2855
Mycobacterium tuberculosis Probable oxidoreductase 0.0265 0.2996 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0159 0.1346
Loa Loa (eye worm) carboxylesterase 0.0091 0.0926 0.1425
Echinococcus multilocularis mitogen activated protein kinase 11 0.0312 0.3565 0.3538
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0518 0.0769
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0091 0.0926 0.2978
Loa Loa (eye worm) inositol-1 0.004 0.0325 0.0458
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0069 0.0662 0.2222
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0049 0.005
Schistosoma mansoni lamin 0.0057 0.0518 0.0804
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0436 0.1101
Echinococcus multilocularis chromobox protein 1 0.0073 0.0716 0.0678
Echinococcus granulosus lamin dm0 0.0057 0.0518 0.0769
Echinococcus granulosus chromobox protein 1 0.0073 0.0716 0.1087
Trichomonas vaginalis chromobox protein, putative 0.0044 0.037 0.1163
Echinococcus multilocularis geminin 0.0178 0.1966 0.1933
Plasmodium falciparum thioredoxin reductase 0.005 0.0436 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0157 0.0186
Echinococcus multilocularis para nitrobenzyl esterase 0.0091 0.0926 0.0889
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0217 0.0321
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0217 0.0284
Plasmodium vivax SET domain protein, putative 0.0031 0.0217 0.4358
Brugia malayi Pre-SET motif family protein 0.0031 0.0217 0.0348
Brugia malayi Carboxylesterase family protein 0.0091 0.0926 0.1482
Plasmodium falciparum glutathione reductase 0.005 0.0436 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.037 0.0545
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0049 0.0012
Loa Loa (eye worm) hypothetical protein 0.0027 0.0169 0.0206
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0091 0.0926 0.1458
Loa Loa (eye worm) hypothetical protein 0.0252 0.2847 0.4518
Loa Loa (eye worm) glutathione reductase 0.005 0.0436 0.0635
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0325 0.0938
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0159 0.0314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0416 0.0605
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0538 0.6252 1
Onchocerca volvulus 0.0049 0.0422 0.0743
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.0662 0.1035
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0325 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.017 0.0344
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0091 0.0926 0.0889
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.017 0.0344
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.1345 0.4399
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0716 0.2417
Trypanosoma brucei trypanothione reductase 0.005 0.0436 0.1101
Brugia malayi chromobox protein homolog 3 0.0041 0.0333 0.0532
Loa Loa (eye worm) RNA binding protein 0.0067 0.0637 0.096
Loa Loa (eye worm) hypothetical protein 0.0538 0.6252 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0217 0.0177
Brugia malayi hypothetical protein 0.0026 0.0159 0.0255
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0217 0.0321
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.027 0.0432
Loa Loa (eye worm) hypothetical protein 0.0041 0.0333 0.0469
Schistosoma mansoni gliotactin 0.0091 0.0926 0.1458
Echinococcus granulosus mitogen activated protein kinase 11 0.0312 0.3565 0.5673
Leishmania major trypanothione reductase 0.005 0.0436 0.1101
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1071 0.1691
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0468 0.0749
Brugia malayi Flap endonuclease-1 0.0027 0.017 0.0271
Echinococcus multilocularis chromobox protein 1 0.0073 0.0716 0.0678
Loa Loa (eye worm) hypothetical protein 0.0069 0.0662 0.1
Loa Loa (eye worm) carboxylesterase 0.0091 0.0926 0.1425
Echinococcus granulosus chromobox protein 1 0.0073 0.0716 0.1087
Echinococcus granulosus acetylcholinesterase 0.0538 0.6252 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0416 0.064
Echinococcus granulosus mitogen activated protein kinase 14 0.0312 0.3565 0.5673
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0049 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0204 0.0262
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0275 0.0767
Echinococcus multilocularis musashi 0.0057 0.0518 0.0479
Schistosoma mansoni hypothetical protein 0.0036 0.027 0.0406
Echinococcus multilocularis lamin dm0 0.0057 0.0518 0.0479
Echinococcus multilocularis BC026374 protein (S09 family) 0.0091 0.0926 0.0889
Loa Loa (eye worm) hypothetical protein 0.0056 0.0506 0.0749
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0325 1
Brugia malayi Inositol-1 0.004 0.0325 0.052
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0217 0.0177
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0325 0.0786
Loa Loa (eye worm) acetylcholinesterase 1 0.0538 0.6252 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0312 0.3565 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0041 0.0066
Brugia malayi Carboxylesterase family protein 0.0538 0.6252 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0312 0.3565 0.3538
Brugia malayi hypothetical protein 0.0091 0.0926 0.1482
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0103 0.1071 0.1035
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0637 0.0598
Toxoplasma gondii melibiase subfamily protein 0.0103 0.1071 1
Brugia malayi Heterochromatin protein 1 0.0073 0.0716 0.1145
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0416 0.0377
Brugia malayi TAR-binding protein 0.0067 0.0637 0.1019
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0325 0.0786
Loa Loa (eye worm) hypothetical protein 0.0091 0.0926 0.1425
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0637 0.0994
Echinococcus granulosus carboxylesterase 5A 0.0538 0.6252 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 7.07 uM PubChem BioAssay. HEK293 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AC50 (functional) = 43.9 uM PubChem BioAssay. HeLa Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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