Detailed information for compound 505567

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1614.73 | Formula: C78H95N13O23S
  • H donors: 14 H acceptors: 20 LogP: 1.41 Rotable bonds: 46
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC(=O)CC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)CCC(=O)O)O/N=C\CCc1ccccc1)C)[C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(cc2Oc2c1ccc(c2)O)O
  • InChi: 1S/C78H95N13O23S/c1-42(73(108)90-34-9-7-16-58(90)75(110)91-41-48(114-81-33-10-15-44-13-4-3-5-14-44)40-59(91)71(106)85-54(27-30-64(98)99)68(103)84-53(67(79)102)26-29-63(96)97)82-72(107)66(43(2)92)87-70(105)57-18-12-36-89(57)74(109)55(28-31-65(100)101)86-69(104)56-17-11-35-88(56)62(95)19-6-8-32-80-77(115)83-45-20-23-49-52(37-45)78(113-76(49)111)50-24-21-46(93)38-60(50)112-61-39-47(94)22-25-51(61)78/h3-5,13-14,20-25,33,37-39,42-43,48,53-59,66,92-94H,6-12,15-19,26-32,34-36,40-41H2,1-2H3,(H2,79,102)(H,82,107)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-33-/t42-,43+,48+,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
  • InChiKey: JUNNDFJYIFBPGD-JIUSWKMHSA-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
Brugia malayi RNA binding protein 0.0062 0.0138 0.0617
Toxoplasma gondii hypothetical protein 0.0142 0.0466 0.0881
Mycobacterium ulcerans hypothetical protein 0.01 0.0294 1
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Brugia malayi CHE-14 protein 0.0171 0.0581 0.2598
Echinococcus multilocularis glycoprotein Antigen 5 0.01 0.0294 0.0294
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0093 0.082
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0086 0.2183
Toxoplasma gondii PAN domain-containing protein 0.1325 0.5285 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0294 0.1317
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Loa Loa (eye worm) PAN domain-containing protein 0.0142 0.0466 0.2082
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0153 0.0593
Brugia malayi hypothetical protein 0.0033 0.0019 0.0087
Echinococcus granulosus Niemann Pick C1 protein 0.0568 0.2202 0.8532
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.001 0.0044
Onchocerca volvulus 0.0142 0.0466 0.2082
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0018 0.0082
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0153 0.0685
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0018 0.0082
Plasmodium vivax SET domain protein, putative 0.0031 0.001 0.0088
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0018 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0008 0.0086
Mycobacterium ulcerans acyl-CoA synthetase 0.0096 0.0276 0.9363
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0072 0.0177 0.4492
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.003 0.0008 0.0086
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0161 0.1419
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0045 0.0174
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.001 0.0019
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0086 0.0759
Onchocerca volvulus 0.01 0.0294 0.1317
Schistosoma mansoni pyruvate kinase 0.0033 0.0018 0.0082
Loa Loa (eye worm) hypothetical protein 0.0072 0.0177 0.0792
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0096 0.0276 0.9363
Toxoplasma gondii microneme protein MIC17B 0.0142 0.0466 0.0881
Mycobacterium ulcerans acyl-CoA synthetase 0.0096 0.0276 0.9363
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0096 0.0276 0.9363
Schistosoma mansoni hypothetical protein 0.0142 0.0464 0.2074
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0018 0.0468
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.001 0.0044
Brugia malayi DKFZp564C0469 protein 0.003 0.0008 0.0034
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0086 0.0086
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0086 0.0759
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.01 0.0294 0.1317
Brugia malayi Trypsin family protein 0.0577 0.2236 1
Echinococcus multilocularis nibrin 0.003 0.0008 0.0008
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0018 0.0082
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0018 0.0082
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0008 0.0066
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0161 0.0719
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.003 0.0008 0.0034
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0577 0.2236 1
Onchocerca volvulus 0.0476 0.1827 0.8171
Onchocerca volvulus 0.0047 0.0078 0.0348
Schistosoma mansoni hypothetical protein 0.0108 0.0325 0.1453
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.01 0.0294 0.0294
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.0343 0.8704
Plasmodium falciparum replication factor C subunit 1, putative 0.003 0.0008 0.0066
Brugia malayi Trypsin family protein 0.01 0.0294 0.1317
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0138 0.0617
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0096 0.0276 0.6995
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0008 0.0086
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0306 0.1133 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0093 0.082
Echinococcus granulosus replication factor c subunit 1 0.003 0.0008 0.0029
Brugia malayi Cytochrome P450 family protein 0.0055 0.0108 0.0484
Onchocerca volvulus 0.0142 0.0466 0.2082
Entamoeba histolytica acyl-CoA synthetase, putative 0.0096 0.0276 0.183
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0161 0.0623
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0398 0.1506 1
Brugia malayi Pre-SET motif family protein 0.0031 0.001 0.0044
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0208 0.0731 0.3271
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.003 0.0008 0.005
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Onchocerca volvulus 0.0242 0.0873 0.3906
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.0464 0.2074
Schistosoma mansoni hypothetical protein 0.01 0.0294 0.1317
Loa Loa (eye worm) hypothetical protein 0.0171 0.0581 0.2598
Brugia malayi Trypsin family protein 0.01 0.0294 0.1317
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0404 0.1531 0.6847
Loa Loa (eye worm) hypothetical protein 0.01 0.0294 0.1317
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0018 0.1148
Chlamydia trachomatis pyruvate kinase 0.0033 0.0018 0.0645
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0034
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.003 0.0008 0.0467
Loa Loa (eye worm) PAN domain-containing protein 0.0142 0.0466 0.2082
Toxoplasma gondii PAN domain-containing protein 0.0142 0.0466 0.0881
Echinococcus multilocularis Niemann Pick C1 protein 0.0398 0.1506 0.1506
Plasmodium falciparum pyruvate kinase 0.0033 0.0018 0.0163
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0068 0.0161 0.4088
Echinococcus multilocularis GPCR, family 2 0.0066 0.0153 0.0153
Toxoplasma gondii microneme protein MIC17A 0.0142 0.0466 0.0881
Loa Loa (eye worm) hypothetical protein 0.0051 0.0093 0.0415
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.003 0.0008 0.019
Brugia malayi hypothetical protein 0.003 0.0008 0.0034
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0018 0.0082
Schistosoma mansoni transcription factor LCR-F1 0.0108 0.0325 0.1453
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0072 0.0177 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.01 0.0294 0.1317
Schistosoma mansoni hypothetical protein 0.0066 0.0153 0.0685
Brugia malayi TAR-binding protein 0.0062 0.0138 0.0617
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0093 0.082
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0138 0.0617
Toxoplasma gondii PAN domain-containing protein 0.0142 0.0466 0.0881
Schistosoma mansoni hypothetical protein 0.0165 0.0556 0.2486
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0153 0.0593
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0171 0.0581 0.2598
Leishmania major pyruvate kinase 0.0033 0.0018 0.0163
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Echinococcus multilocularis protein patched 0.0171 0.0581 0.0581
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0096 0.0276 0.6995
Loa Loa (eye worm) hypothetical protein 0.0066 0.0153 0.0685
Toxoplasma gondii microneme protein MIC17C 0.0142 0.0466 0.0881
Echinococcus granulosus tumor protein p63 0.0661 0.258 1
Treponema pallidum DNA ligase (lig) 0.003 0.0008 0.5
Echinococcus granulosus pyruvate kinase 0.0033 0.0018 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0008 0.0086
Onchocerca volvulus 0.0142 0.0466 0.2082
Plasmodium falciparum thioredoxin reductase 0.0049 0.0086 0.0759
Schistosoma mansoni hypothetical protein 0.01 0.0294 0.1317
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0093 0.5778
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0153 0.0685
Mycobacterium ulcerans acyl-CoA synthetase 0.0096 0.0276 0.9363
Entamoeba histolytica hypothetical protein 0.0108 0.0325 0.2158
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0138 0.0617
Brugia malayi Trypsin-like protease protein 5 0.01 0.0294 0.1317
Loa Loa (eye worm) TK/ROR protein kinase 0.0306 0.1133 0.5066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0153 0.0153
Schistosoma mansoni pyruvate kinase 0.0033 0.0018 0.0082
Leishmania major 4-coumarate:coa ligase-like protein 0.0096 0.0276 0.2434
Loa Loa (eye worm) hypothetical protein 0.0398 0.1506 0.6735
Onchocerca volvulus 0.0031 0.001 0.0044
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.0753 0.3369
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.0394 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0464 0.2074
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0068 0.0161 0.4088
Brugia malayi Calcitonin receptor-like protein seb-1 0.0208 0.0731 0.3271
Plasmodium vivax acyl-CoA synthetase, putative 0.0072 0.0177 0.1563
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0161 0.0161
Brugia malayi hypothetical protein 0.0231 0.0828 0.3705
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0108 0.0325 0.1259
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.003 0.0008 0.5
Schistosoma mansoni topbp1 0.003 0.0008 0.0034
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0018 0.0082
Onchocerca volvulus 0.0142 0.0466 0.2082
Echinococcus multilocularis Mastin 0.01 0.0294 0.0294
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.0828 0.0828
Onchocerca volvulus 0.0142 0.0466 0.2082
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.003 0.0008 0.0086
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0161 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0034
Entamoeba histolytica acyl-CoA synthetase, putative 0.0096 0.0276 0.183
Echinococcus granulosus glycoprotein Antigen 5 0.01 0.0294 0.1141
Loa Loa (eye worm) hypothetical protein 0.01 0.0294 0.1317
Brugia malayi Niemann-Pick C1 protein precursor 0.0398 0.1506 0.6735
Echinococcus granulosus Protein patched homolog 1 0.0171 0.0581 0.2251
Loa Loa (eye worm) hypothetical protein 0.01 0.0294 0.1317
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Loa Loa (eye worm) hypothetical protein 0.0577 0.2236 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.01 0.0294 0.1317
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0018 0.0627
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.0394 1
Brugia malayi Trypsin family protein 0.01 0.0294 0.1317
Brugia malayi Pre-SET motif family protein 0.0213 0.0753 0.3369
Plasmodium falciparum cysteine repeat modular protein 1 0.0306 0.1133 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Toxoplasma gondii PAN domain-containing protein 0.0142 0.0466 0.0881
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0018 0.0082
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Echinococcus granulosus expressed conserved protein 0.0374 0.1408 0.5456
Brugia malayi hypothetical protein 0.003 0.0008 0.0034
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.01 0.0294 0.0294
Leishmania major 4-coumarate:coa ligase-like protein 0.0096 0.0276 0.2434
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0034
Schistosoma mansoni chromosome transmission fidelity factor 0.003 0.0008 0.0034
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0161 0.1067
Trypanosoma brucei trypanothione reductase 0.0049 0.0086 0.5352
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.001 0.001
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.0828 0.321
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0045 0.0045
Entamoeba histolytica hypothetical protein 0.003 0.0008 0.005
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.0394 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0177 0.6012
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0078 0.0348
Onchocerca volvulus 0.0142 0.0466 0.2082
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0138 0.0617
Toxoplasma gondii subtilisin SUB12 0.0142 0.0466 0.0881
Loa Loa (eye worm) PAN domain-containing protein 0.0142 0.0466 0.2082
Schistosoma mansoni hypothetical protein 0.0047 0.0078 0.0348
Brugia malayi Thioredoxin reductase 0.0049 0.0086 0.0385
Toxoplasma gondii hypothetical protein 0.0142 0.0466 0.0881
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0005 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.001 0.0044
Leishmania major pyruvate kinase 0.0033 0.0018 0.0163
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.01 0.0294 0.1317
Brugia malayi Pax transcription activation domain interacting protein 0.003 0.0008 0.0034
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.003 0.0008 0.0066
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.001 0.001
Loa Loa (eye worm) PAN domain-containing protein 0.0142 0.0466 0.2082
Onchocerca volvulus 0.0142 0.0466 0.2082
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.003 0.0008 0.0255
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.0343 0.8704
Trichomonas vaginalis replication factor C large subunit, putative 0.003 0.0008 0.0086
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0161 0.1419
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0138 0.0617
Echinococcus granulosus pyruvate kinase 0.0033 0.0018 0.0071
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.01 0.0294 0.1141
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.01 0.0294 0.1317
Loa Loa (eye worm) RNA binding protein 0.0062 0.0138 0.0617
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.001 0.0038
Schistosoma mansoni survival motor neuron protein 0.0047 0.0078 0.0348
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0068 0.0161 0.4088
Loa Loa (eye worm) glutathione reductase 0.0049 0.0086 0.0385
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.0343 0.8704
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0153 0.0685
Echinococcus multilocularis replication factor c subunit 1 0.003 0.0008 0.0008
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.0343 0.8704
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0161 0.0719
Toxoplasma gondii microneme protein MIC4 0.0142 0.0466 0.0881
Loa Loa (eye worm) hypothetical protein 0.01 0.0294 0.1317
Onchocerca volvulus 0.0142 0.0466 0.2082
Schistosoma mansoni DNA ligase IV 0.003 0.0008 0.0034
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0018 0.0211
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Schistosoma mansoni hypothetical protein 0.0306 0.1133 0.5066
Onchocerca volvulus 0.0142 0.0466 0.2082
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0018 0.0035
Schistosoma mansoni hypothetical protein 0.0165 0.0556 0.2486
Loa Loa (eye worm) hypothetical protein 0.0033 0.0018 0.0082
Plasmodium falciparum acyl-CoA synthetase 0.0072 0.0177 0.1563
Loa Loa (eye worm) hypothetical protein 0.0209 0.0737 0.3298
Echinococcus multilocularis pyruvate kinase 0.0033 0.0018 0.0018
Brugia malayi AMP-binding enzyme family protein 0.0096 0.0276 0.1233
Brugia malayi Kringle domain containing protein 0.0306 0.1133 0.5066
Entamoeba histolytica acyl-coA synthetase, putative 0.0096 0.0276 0.183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0208 0.0731 0.3271
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0018 0.0211
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Toxoplasma gondii PAN domain-containing protein 0.0142 0.0466 0.0881
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.01 0.0294 0.1317
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Loa Loa (eye worm) hypothetical protein 0.0097 0.028 0.1252
Brugia malayi AMP-binding enzyme family protein 0.0096 0.0276 0.1233
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Toxoplasma gondii microneme protein, putative 0.0142 0.0466 0.0881
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0018 0.1148
Plasmodium vivax glutathione reductase, putative 0.0049 0.0086 0.0759
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0034
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0577 0.2236 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.003 0.0008 0.0014
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0161 0.0719
Echinococcus granulosus nibrin 0.003 0.0008 0.0029
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0096 0.0276 0.9363
Plasmodium vivax replication factor C subunit 1, putative 0.003 0.0008 0.0066
Loa Loa (eye worm) hypothetical protein 0.0072 0.0177 0.0792
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0008 0.0086
Onchocerca volvulus 0.0096 0.0276 0.1233
Echinococcus multilocularis tissue type plasminogen activator 0.0306 0.1133 0.1133
Leishmania major hypothetical protein, conserved 0.0306 0.1133 1
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Echinococcus granulosus tissue type plasminogen activator 0.0306 0.1133 0.439
Onchocerca volvulus 0.0097 0.028 0.1252
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0093 0.082
Brugia malayi AMP-binding enzyme family protein 0.0096 0.0276 0.1233
Onchocerca volvulus 0.0306 0.1133 0.5066
Toxoplasma gondii kringle domain-containing protein 0.0306 0.1133 0.2144
Echinococcus granulosus transmembrane protease serine 3 0.01 0.0294 0.1141
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0008 0.0086
Echinococcus granulosus enteropeptidase 0.01 0.0294 0.1141
Onchocerca volvulus 0.003 0.0008 0.0034
Onchocerca volvulus 0.01 0.0294 0.1317
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0018 0.0163
Loa Loa (eye worm) hypothetical protein 0.0096 0.0276 0.1233
Leishmania major 4-coumarate:coa ligase-like protein 0.0096 0.0276 0.2434
Echinococcus granulosus GPCR family 2 0.0066 0.0153 0.0593
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0138 0.0138
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0018 0.0082
Onchocerca volvulus 0.0142 0.0466 0.2082
Loa Loa (eye worm) hypothetical protein 0.0096 0.0276 0.1233
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0108 0.0484
Loa Loa (eye worm) hypothetical protein 0.0142 0.0466 0.2082
Echinococcus multilocularis Niemann Pick C1 protein 0.0568 0.2202 0.2202
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0008 0.0066
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0161 0.1419
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0153 0.0153
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0096 0.0276 0.6995
Toxoplasma gondii PAN domain-containing protein 0.1325 0.5285 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0018 0.0468
Leishmania major hypothetical protein, conserved 0.0051 0.0093 0.082
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0018 0.0163
Schistosoma mansoni topbp1 0.003 0.0008 0.0034
Mycobacterium tuberculosis Probable reductase 0.0112 0.0343 0.8704
Toxoplasma gondii ATPase, AAA family protein 0.003 0.0008 0.0014
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0108 0.0325 0.0325
Echinococcus granulosus Niemann Pick C1 protein 0.0398 0.1506 0.5836
Entamoeba histolytica hypothetical protein 0.0108 0.0325 0.2158
Loa Loa (eye worm) hypothetical protein 0.0231 0.0828 0.3705
Echinococcus granulosus sterol regulatory element binding protein 0.0171 0.0581 0.2251
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.003 0.0008 0.0086
Loa Loa (eye worm) hypothetical protein 0.0072 0.0177 0.0792
Echinococcus multilocularis transmembrane protease serine 3 0.01 0.0294 0.0294
Brugia malayi Protein kinase domain containing protein 0.0306 0.1133 0.5066
Loa Loa (eye worm) PAN domain-containing protein 0.0142 0.0466 0.2082
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0086 0.0333
Echinococcus multilocularis sterol regulatory element binding protein 0.0171 0.0581 0.0581
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0138 0.0617
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0581 0.6651
Schistosoma mansoni hypothetical protein 0.0066 0.0153 0.0685
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.0343 0.8704
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.1133 1
Schistosoma mansoni cellular tumor antigen P53 0.0097 0.028 0.1252
Onchocerca volvulus 0.0142 0.0466 0.2082
Brugia malayi hypothetical protein 0.01 0.0294 0.1317
Brugia malayi PAN domain containing protein 0.0142 0.0466 0.2082
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.0394 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0068 0.0161 0.4088
Onchocerca volvulus 0.01 0.0294 0.1317
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0096 0.0276 0.9363
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0093 0.082
Echinococcus multilocularis pyruvate kinase 0.0033 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0072 0.0177 0.0792
Mycobacterium ulcerans hypothetical protein 0.0096 0.0276 0.9363
Brugia malayi glutathione reductase 0.0049 0.0086 0.0385
Echinococcus multilocularis expressed conserved protein 0.0374 0.1408 0.1408
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.001 0.0044
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0034
Brugia malayi hypothetical protein 0.0051 0.0093 0.0415
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.01 0.0294 0.1317
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0086 0.0385
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0034
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0138 0.0617
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.0343 0.8704
Echinococcus granulosus tar DNA binding protein 0.0062 0.0138 0.0535
Loa Loa (eye worm) hypothetical protein 0.0306 0.1133 0.5066
Loa Loa (eye worm) trypsin family protein 0.01 0.0294 0.1317
Echinococcus multilocularis protein dispatched 1 0.0195 0.0679 0.0679
Onchocerca volvulus 0.01 0.0294 0.1317
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.01 0.0294 0.1141
Entamoeba histolytica hypothetical protein 0.0108 0.0325 0.2158
Loa Loa (eye worm) hypothetical protein 0.0577 0.2236 1
Trypanosoma cruzi FHA domain containing protein, putative 0.003 0.0008 0.0066
Echinococcus granulosus Mastin 0.01 0.0294 0.1141
Toxoplasma gondii PAN/Apple domain-containing protein 0.0142 0.0466 0.0881
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Loa Loa (eye worm) hypothetical protein 0.0208 0.0731 0.3271
Brugia malayi hypothetical protein 0.0108 0.0325 0.1453
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0142 0.0466 0.0881
Plasmodium falciparum glutathione reductase 0.0049 0.0086 0.0759
Loa Loa (eye worm) hypothetical protein 0.0096 0.0276 0.1233
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0093 0.0176
Schistosoma mansoni hypothetical protein 0.0165 0.0556 0.2486
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0096 0.0276 0.6995
Onchocerca volvulus 0.01 0.0294 0.1317
Toxoplasma gondii thioredoxin reductase 0.0049 0.0086 0.0163
Loa Loa (eye worm) hypothetical protein 0.0031 0.001 0.0044
Schistosoma mansoni hypothetical protein 0.0165 0.0556 0.2486
Loa Loa (eye worm) hypothetical protein 0.0072 0.0177 0.0792
Schistosoma mansoni cercarial elastase (S01 family) 0.01 0.0294 0.1317
Schistosoma mansoni hypothetical protein 0.0066 0.0153 0.0685
Echinococcus multilocularis enteropeptidase 0.01 0.0294 0.0294
Giardia lamblia Pyruvate kinase 0.0033 0.0018 1
Trichomonas vaginalis set domain proteins, putative 0.0242 0.0873 1
Onchocerca volvulus 0.0577 0.2236 1
Leishmania major trypanothione reductase 0.0049 0.0086 0.0759
Schistosoma mansoni hypothetical protein 0.0066 0.0153 0.0685
Schistosoma mansoni patched 1 0.0171 0.0581 0.2598
Entamoeba histolytica hypothetical protein 0.0108 0.0325 0.2158
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.003 0.0008 0.0086
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0138 0.0617
Echinococcus multilocularis tumor protein p63 0.0661 0.258 0.258
Brugia malayi topoisomerase 0.003 0.0008 0.0034

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26 uM Binding affinity to Tsg101 (unknown origin) ChEMBL. 18083557
IC50 (binding) = 26 uM Binding affinity to Tsg101 (unknown origin) ChEMBL. 18083557

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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