Detailed information for compound 1118872

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 506.663 | Formula: C27H34N6O2S
  • H donors: 2 H acceptors: 5 LogP: 4.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1sc2c(n1)c(ncn2)c1ccccc1)C1CCCCC1)C
  • InChi: 1S/C27H34N6O2S/c1-17(28-2)24(34)31-22(19-12-7-4-8-13-19)27(35)33-15-9-14-20(33)25-32-23-21(18-10-5-3-6-11-18)29-16-30-26(23)36-25/h3,5-6,10-11,16-17,19-20,22,28H,4,7-9,12-15H2,1-2H3,(H,31,34)/t17-,20-,22-/m0/s1
  • InChiKey: XOMVTFGAOHFQCH-XJABCFGWSA-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 ImpB/MucB/SamB family protein 0.0023 0.0255 0.0283
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.5318 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0167 0.0108
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0815 0.0949
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0067 0.1065 0.1011
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.1903 0.8157
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0289 0.0496
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0601
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.034 0.311
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0077 0.1252 0.12
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0255 0.0197
Echinococcus granulosus neuropeptide receptor A26 0.0553 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0755 0.07
Loa Loa (eye worm) hypothetical protein 0.0025 0.0289 0.0343
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.2511 0.5899
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.002
Loa Loa (eye worm) hypothetical protein 0.0054 0.0819 0.0971
Echinococcus multilocularis Smad4 0.0018 0.0167 0.0108
Schistosoma mansoni smad1 5 8 and 0.0018 0.0167 0.0716
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0558 0.101
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0167 0.0108
Loa Loa (eye worm) transcription factor SMAD2 0.0268 0.4765 0.5651
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0643 0.2009
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0601
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0289 0.0496
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.002 0.0088
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0255 0.035
Echinococcus granulosus bloom syndrome protein 0.002 0.0203 0.0144
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0203 0.0144
Toxoplasma gondii ABC1 family protein 0.0037 0.0507 0.4694
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0289 0.0496
Echinococcus granulosus Smad4 0.0018 0.0167 0.0108
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0255 0.1094
Brugia malayi hypothetical protein 0.0255 0.4516 0.5347
Schistosoma mansoni smad 0.0018 0.0167 0.0716
Schistosoma mansoni zinc finger protein 0.0033 0.0436 0.1868
Brugia malayi MH1 domain containing protein 0.0018 0.0167 0.0179
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.034 0.4022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0206
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0507 0.6117
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.5318 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0755 0.0877
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0013 0.0057
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0507 0.0881
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0037 0.0505 0.0449
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0289 0.0496
Echinococcus multilocularis GPCR, family 2 0.0017 0.0143 0.0085
Loa Loa (eye worm) RecQ helicase 0.002 0.0203 0.0241
Entamoeba histolytica recQ family helicase, putative 0.002 0.0203 0.0358
Loa Loa (eye worm) hypothetical protein 0.0113 0.1903 0.2257
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0815 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0643 0.7832
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0065 0.1019 0.0966
Loa Loa (eye worm) hypothetical protein 0.0113 0.1903 0.2257
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0255 0.2953
Giardia lamblia DINP protein human, muc B family 0.0023 0.0255 0.0102
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Loa Loa (eye worm) hypothetical protein 0.0104 0.1739 0.2062
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0507 0.0881
Brugia malayi Bromodomain containing protein 0.0082 0.1345 0.1579
Echinococcus granulosus methyl CpG binding domain protein 2 0.0037 0.0505 0.0449
Echinococcus granulosus smad 0.0018 0.0167 0.0108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0819 0.0971
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0643 0.5991
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0255 0.0456
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0173 0.1523
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0755 0.07
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0529 0.0628
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.0643 0.0587
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0289 0.141
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0601
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0289 0.052
Loa Loa (eye worm) inositol-1 0.0044 0.0643 0.0763
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0143 0.0085
Loa Loa (eye worm) hypothetical protein 0.0028 0.034 0.0403
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.034 0.311
Echinococcus multilocularis muscleblind protein 1 0.0164 0.2849 0.2807
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0255 0.2953
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0507 0.0582
Schistosoma mansoni DNA helicase recq1 0.002 0.0203 0.087
Loa Loa (eye worm) hypothetical protein 0.002 0.0203 0.0241
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0507 0.2172
Brugia malayi hypothetical protein 0.0018 0.016 0.017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0755 0.3237
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Loa Loa (eye worm) hypothetical protein 0.0092 0.1517 0.1799
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0289 0.052
Echinococcus multilocularis survival motor neuron protein 1 0.0255 0.4516 0.4483
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0289 0.141
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.002 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.0643 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.1348 0.1599
Brugia malayi Inositol-1 0.0044 0.0643 0.0744
Loa Loa (eye worm) Smad1 0.0018 0.0167 0.0198
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0255 0.0056
Mycobacterium tuberculosis Conserved protein 0.0037 0.0507 0.0881
Schistosoma mansoni DNA polymerase eta 0.0054 0.0815 0.3495
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0128 0.2192 0.2145
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0173 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0173 0.0047
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0507 0.1426
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.5318 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.0203 0.0144
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0077 0.1252 0.12
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0601
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0507 0.0323
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0507 0.045
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0289 0.0496
Onchocerca volvulus 0.0113 0.1903 0.187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Trichomonas vaginalis set domain proteins, putative 0.0532 0.962 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0289 0.0343
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0167 0.0716
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0289 0.052
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0507 0.0601
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0255 0.0854
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0507 0.0323
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0289 0.0337
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0067 0.1065 1
Echinococcus granulosus GPCR family 2 0.0017 0.0143 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.034 0.4022
Loa Loa (eye worm) beta-lactamase 0.0037 0.0507 0.0601
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0643 0.0467
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0167 0.0108
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0755 0.07
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0819 0.0953
Schistosoma mansoni hypothetical protein 0.0017 0.0143 0.0614
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0643 0.7509
Brugia malayi MH2 domain containing protein 0.0018 0.0167 0.0179
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0523 0.4846
Brugia malayi MH1 domain containing protein 0.0018 0.0167 0.0179
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0255 0.1904
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.2511 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Onchocerca volvulus 0.0105 0.1768 0.1727
Echinococcus granulosus zinc finger protein 0.0042 0.0605 0.0549
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.002 0.0069
Schistosoma mansoni hypothetical protein 0.0044 0.0647 0.2772
Loa Loa (eye worm) hypothetical protein 0.0017 0.0143 0.017
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0203 0.0221
Schistosoma mansoni hypothetical protein 0.0017 0.0143 0.0614
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0255 0.2953
Schistosoma mansoni hypothetical protein 0.0033 0.0436 0.1868
Schistosoma mansoni bromodomain containing protein 0.0136 0.2333 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0507 0.2172
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0507 0.5539
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0289 0.0337
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0203 0.0144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0755 0.3237
Loa Loa (eye worm) hypothetical protein 0.0037 0.0506 0.06
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0255 0.0056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0643 0.0467
Trypanosoma brucei ISWI complex protein 0.0033 0.0436 0.4514
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0507 0.0323
Onchocerca volvulus 0.0025 0.0289 0.0169
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0601
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0104 0.1739 0.7453
Brugia malayi MH2 domain containing protein 0.0018 0.0167 0.0179
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0507 0.0881
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0203 0.177
Loa Loa (eye worm) hypothetical protein 0.0088 0.1442 0.171
Brugia malayi Pre-SET motif family protein 0.0468 0.8432 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0268 0.4765 0.5651
Onchocerca volvulus 0.0067 0.1065 0.0986
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0289 0.141
Leishmania major hypothetical protein, conserved 0.0033 0.0436 0.3802
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0815 1
Onchocerca volvulus 0.0052 0.0786 0.0693
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0255 0.0252
Onchocerca volvulus 0.0037 0.0507 0.0399
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0104 0.1739 0.7453
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0289 0.0324
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.1903 0.8157
Schistosoma mansoni zinc finger protein 0.0042 0.0605 0.2593
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0203 0.0221
Loa Loa (eye worm) hypothetical protein 0.0025 0.0289 0.0343
Mycobacterium tuberculosis Conserved protein 0.0037 0.0507 0.0881
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0203 0.0241
Echinococcus granulosus survival motor neuron protein 1 0.0255 0.4516 0.4483
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0203 0.2295
Entamoeba histolytica recQ family DNA helicase 0.001 0.002 0.0014
Echinococcus multilocularis muscleblind protein 0.0164 0.2849 0.2807
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0523 0.6318
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0206
Schistosoma mansoni hypothetical protein 0.0017 0.0143 0.0614
Echinococcus granulosus histone lysine methyltransferase setb 0.0104 0.1739 0.169
Onchocerca volvulus 0.0532 0.962 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0289 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0755 0.07
Schistosoma mansoni hypothetical protein 0.0017 0.0143 0.0614
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Schistosoma mansoni survival motor neuron protein 0.0052 0.0786 0.3371
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0203 0.177
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0203 0.0144
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0722 0.0667
Brugia malayi Pre-SET motif family protein 0.0067 0.1065 0.1245
Brugia malayi Trypsin family protein 0.0113 0.1903 0.2242
Mycobacterium tuberculosis Conserved protein 0.0037 0.0507 0.0881
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0647 0.0767
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0755 0.0896
Loa Loa (eye worm) hypothetical protein 0.001 0.002 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Mycobacterium ulcerans hypothetical protein 0.0025 0.0289 0.0496
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0507 0.0323
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0255 0.2953
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0128 0.2192 0.2145
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0167 0.0198
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0722 0.0667
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0255 0.0197
Loa Loa (eye worm) hypothetical protein 0.0152 0.2627 0.3116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0206
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0507 0.0881
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0255 0.0303
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0067 0.1065 0.4562
Schistosoma mansoni hypothetical protein 0.0012 0.0059 0.0254
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0505 0.2165
Brugia malayi beta-lactamase family protein 0.0037 0.0507 0.0582
Loa Loa (eye worm) hypothetical protein 0.0037 0.0507 0.0601
Echinococcus granulosus dna polymerase eta 0.0054 0.0815 0.0761
Schistosoma mansoni DNA helicase recq5 0.002 0.0203 0.087
Brugia malayi beta-lactamase 0.0037 0.0507 0.0582
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0507 0.4694
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0643 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0755 0.3237
Schistosoma mansoni inositol monophosphatase 0.0044 0.0643 0.2756
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0143 0.017
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0206
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0143 0.015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0143 0.0085
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.034 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0507 0.0323
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.034 0.3132
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0468 0.8432 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0255 0.035
Leishmania major DNA polymerase eta, putative 0.0054 0.0815 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0289 0.0496
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0104 0.1739 0.169
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0507 0.0881
Loa Loa (eye worm) hypothetical protein 0.0255 0.4516 0.5356
Leishmania major hypothetical protein, conserved 0.0028 0.034 0.2241
Echinococcus multilocularis dna polymerase eta 0.0054 0.0815 0.0761
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0507 0.0881
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.5318 0.5431
Loa Loa (eye worm) hypothetical protein 0.0164 0.2849 0.3379
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0722 0.3096
Brugia malayi beta-lactamase family protein 0.0037 0.0507 0.0582
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0819 0.0953
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0507 0.0979
Onchocerca volvulus 0.0037 0.0507 0.0399
Echinococcus multilocularis neuropeptide receptor A26 0.0553 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0506 0.2169
Loa Loa (eye worm) nuclear factor I 0.001 0.0017 0.002
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.034 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0167 0.0198
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0505 0.2165
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0507 0.0881
Mycobacterium leprae Probable lipase LipE 0.0037 0.0507 0.0979
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0506 0.0581
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0203 0.1804
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0786 0.0915
Plasmodium vivax SET domain protein, putative 0.0067 0.1065 1
Schistosoma mansoni hypothetical protein 0.0052 0.0786 0.3371
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0203 0.0221
Brugia malayi Smad1 0.0018 0.0167 0.0179
Loa Loa (eye worm) hypothetical protein 0.0164 0.2849 0.3379
Leishmania major DNA polymerase eta, putative 0.0038 0.0523 0.5222
Mycobacterium ulcerans lipase LipD 0.0037 0.0507 0.1426
Leishmania major hypothetical protein, conserved 0.0037 0.0507 0.4961
Echinococcus granulosus muscleblind protein 0.0164 0.2849 0.2807
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.2511 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0255 0.0197
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.0643 0.1187
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0255 0.1904
Loa Loa (eye worm) hypothetical protein 0.0054 0.0815 0.0967
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0203 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0507 0.6117
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.1065 0.4562
Schistosoma mansoni Smad4 0.0018 0.0167 0.0716
Brugia malayi PHD-finger family protein 0.0054 0.0816 0.095
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0643 0.7832
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0255 0.0252
Schistosoma mansoni smad1 5 8 and 0.0018 0.0167 0.0716
Mycobacterium ulcerans beta-lactamase 0.0037 0.0507 0.1426
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0643 0.7186
Mycobacterium ulcerans hypothetical protein 0.0037 0.0507 0.1426
Brugia malayi Bromodomain containing protein 0.0161 0.2797 0.3303
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0143 0.015
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0203 0.1804
Echinococcus granulosus dna polymerase kappa 0.0023 0.0255 0.0197
Onchocerca volvulus 0.0037 0.0507 0.0399
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.4149 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0203 0.1148
Trypanosoma cruzi ISWI complex protein 0.0033 0.0436 0.5225
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0255 0.1904
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0289 0.0496
Echinococcus multilocularis zinc finger protein 0.0042 0.0605 0.0549
Echinococcus multilocularis neuropeptide s receptor 0.0553 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0255 0.0854
Loa Loa (eye worm) hypothetical protein 0.001 0.002 0.0024
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.5318 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0143 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0255 0.1904
Trypanosoma cruzi ISWI complex protein 0.0033 0.0436 0.5225
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0143 0.0085
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0643 0.0587
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0167 0.0108
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0507 0.1426
Trichomonas vaginalis esterase, putative 0.0037 0.0507 0.0323
Trypanosoma brucei unspecified product 0.0023 0.0255 0.1904
Schistosoma mansoni smad1 5 8 and 0.0018 0.0167 0.0716
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0289 0.0324
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0255 0.1094
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0206
Schistosoma mansoni inositol monophosphatase 0.0044 0.0643 0.2756
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0558 0.1209
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0507 0.045
Brugia malayi Muscleblind-like protein 0.0164 0.2849 0.3366
Echinococcus multilocularis smad 0.0018 0.0167 0.0108
Brugia malayi MH2 domain containing protein 0.0268 0.4765 0.5642
Brugia malayi hypothetical protein 0.0028 0.034 0.0384

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 0.13 mM Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ChEMBL. 20189383
Ki (functional) = 0.26 mM Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ChEMBL. 20189383

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

1 literature reference was collected for this gene.

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