Detailed information for compound 1106624

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 612.695 | Formula: C33H32N4O6S
  • H donors: 1 H acceptors: 4 LogP: 3.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)/C=C/1\CN(C)C[C@@]2(C1=O)[C@H](c1ccc(cc1)OC)[C@H]1N([C@]32C(=O)Nc2c3cc(cc2)[N+](=O)[O-])CSC1
  • InChi: 1S/C33H32N4O6S/c1-35-16-22(14-20-4-9-24(42-2)10-5-20)30(38)32(18-35)29(21-6-11-25(43-3)12-7-21)28-17-44-19-36(28)33(32)26-15-23(37(40)41)8-13-27(26)34-31(33)39/h4-15,28-29H,16-19H2,1-3H3,(H,34,39)/b22-14+/t28-,29+,32-,33-/m0/s1
  • InChiKey: MGVDYERBJJYDOL-LJBLWCKMSA-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
Schistosoma mansoni alpha-glucosidase 0.0162 0.1872 0.1869
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0292 0.0399
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0068 0.0673 0.067
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0263 0.0312
Plasmodium vivax SET domain protein, putative 0.0068 0.0673 1
Schistosoma mansoni hypothetical protein 0.0071 0.0704 0.0701
Echinococcus granulosus GPCR family 2 0.0046 0.0381 0.0378
Brugia malayi hypothetical protein 0.004 0.0311 0.0429
Echinococcus granulosus pyruvate kinase 0.002 0.0052 0.0048
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0301 0.0298
Schistosoma mansoni cpg binding protein 0.0031 0.019 0.0187
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0143 0.0193
Echinococcus multilocularis pyruvate kinase 0.002 0.0052 0.0048
Brugia malayi PHD-finger family protein 0.0032 0.0214 0.0295
Plasmodium vivax importin-beta 2, putative 0.0033 0.0223 0.275
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0802 0.0968
Echinococcus multilocularis pyruvate kinase 0.0039 0.0292 0.0288
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0214 0.0291
Loa Loa (eye worm) hypothetical protein 0.0098 0.1057 0.146
Echinococcus multilocularis chromobox protein 1 0.0078 0.0791 0.0788
Entamoeba histolytica hypothetical protein 0.0027 0.0142 0.0039
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0324 0.3943 1
Schistosoma mansoni pyruvate kinase 0.0039 0.0292 0.0288
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0111 0.0072
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0045 0.0054
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0214 0.2609
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0696 0.0693
Echinococcus multilocularis dnaJ subfamily C 6 0.0071 0.0704 0.0701
Leishmania major phosphopantetheinyl transferase-like protein 0.0027 0.0144 0.0487
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0696 0.8596
Brugia malayi RNA binding protein 0.026 0.3121 0.4321
Trypanosoma cruzi pyruvate kinase 2, putative 0.0039 0.0292 0.2621
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0263 0.0168
Echinococcus multilocularis cpg binding protein 0.0031 0.019 0.0187
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.0381 0.0378
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0333 0.0457
Schistosoma mansoni tar DNA-binding protein 0.026 0.3121 0.3118
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0292 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0193 0.0232
Echinococcus granulosus snurportin 1 0.0354 0.4325 0.4323
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0322 0.0319
Echinococcus granulosus pyruvate kinase 0.002 0.0052 0.0048
Brugia malayi jmjC domain containing protein 0.0041 0.0322 0.0445
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0263 0.0259
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0263 0.0259
Brugia malayi chromobox protein homolog 3 0.0043 0.0355 0.049
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0263 0.0312
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0111 0.0948
Trypanosoma brucei pyruvate kinase 1, putative 0.0039 0.0292 0.2621
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.2807 0.3884
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0263 0.0259
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0802 0.0968
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0058 0.0055
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0214 0.2162
Schistosoma mansoni hypothetical protein 0.0046 0.0381 0.0378
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0111 0.0107
Echinococcus multilocularis pyruvate kinase 0.002 0.0052 0.0048
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0802 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0263 0.0312
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.0144 0.1235
Schistosoma mansoni hypothetical protein 0.0535 0.6646 0.6645
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0311 0.0308
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.1159 0.1155
Schistosoma mansoni hypothetical protein 0.0046 0.0381 0.0378
Brugia malayi Bromodomain containing protein 0.0032 0.0214 0.0295
Mycobacterium leprae Probable lipase LipE 0.0036 0.0263 0.0312
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0802 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0045 0.0054
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.2207 0.2204
Schistosoma mansoni glutaminase 0.058 0.7221 0.722
Mycobacterium ulcerans lipase LipD 0.0036 0.0263 0.0168
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0333 0.0272
Onchocerca volvulus 0.0036 0.0263 0.0144
Brugia malayi RNA recognition motif domain containing protein 0.026 0.3121 0.4321
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0696 0.078
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0397 0.048
Onchocerca volvulus 0.0036 0.0263 0.0144
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.2207 0.2204
Trichomonas vaginalis pyruvate kinase, putative 0.0039 0.0292 0.0352
Echinococcus granulosus peregrin 0.0032 0.0214 0.021
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0111 0.0148
Trichomonas vaginalis pyruvate kinase, putative 0.0039 0.0292 0.0352
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0663 0.8282 1
Trichomonas vaginalis glutaminase, putative 0.058 0.7221 0.8719
Schistosoma mansoni hypothetical protein 0.0046 0.0381 0.0378
Entamoeba histolytica hypothetical protein 0.004 0.0311 0.0245
Treponema pallidum fructose-bisphosphate aldolase 0.0663 0.8282 1
Echinococcus granulosus tar DNA binding protein 0.026 0.3121 0.3118
Loa Loa (eye worm) hypothetical protein 0.0056 0.0511 0.0702
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0322 0.0319
Brugia malayi beta-lactamase family protein 0.0036 0.0263 0.0363
Plasmodium falciparum importin beta, putative 0.0033 0.0223 0.7119
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.0333 0.0402
Plasmodium falciparum phd finger protein, putative 0.0032 0.0214 0.6754
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0193 0.0232
Schistosoma mansoni hypothetical protein 0.004 0.0311 0.0308
Schistosoma mansoni hypothetical protein 0.0046 0.0381 0.0378
Brugia malayi Latrophilin receptor protein 2 0.0046 0.0381 0.0527
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0144 0.0487
Echinococcus granulosus inositol monophosphatase 1 0.0078 0.0802 0.0798
Trichomonas vaginalis ran, putative 0.0024 0.0111 0.0134
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0663 0.8282 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Brugia malayi TAR-binding protein 0.026 0.3121 0.4321
Trichomonas vaginalis esterase, putative 0.0036 0.0263 0.0318
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0263 0.0318
Trypanosoma brucei pyruvate kinase 1 0.0039 0.0292 0.2621
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0263 0.0363
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.026 0.3121 0.4319
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0039 0.0292 0.0388
Onchocerca volvulus 0.0109 0.1192 0.157
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0045 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0045 0.0054
Schistosoma mansoni chromobox protein 0.0078 0.0791 0.0788
Onchocerca volvulus 0.0096 0.1028 0.1318
Echinococcus granulosus lysosomal alpha glucosidase 0.0188 0.2207 0.2204
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0333 0.3219
Brugia malayi MH2 domain containing protein 0.0235 0.2807 0.3886
Echinococcus multilocularis L aminoadipate semialdehyde 0.0096 0.1028 0.1024
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0223 0.0219
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0696 0.1453
Schistosoma mansoni chromobox protein 0.0078 0.0791 0.0788
Schistosoma mansoni pyruvate kinase 0.002 0.0052 0.0048
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0263 0.0359
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0359
Brugia malayi DnaJ domain containing protein 0.0071 0.0704 0.0974
Brugia malayi CXXC zinc finger family protein 0.0029 0.0169 0.0233
Schistosoma mansoni inositol monophosphatase 0.0078 0.0802 0.0798
Echinococcus multilocularis pyruvate kinase 0.0039 0.0292 0.0288
Echinococcus granulosus histone lysine methyltransferase setb 0.0068 0.0673 0.067
Plasmodium vivax pyruvate kinase, putative 0.0039 0.0292 0.3862
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0078 0.0802 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.007 0.0697 0.1454
Schistosoma mansoni ran 0.0024 0.0111 0.0107
Loa Loa (eye worm) hypothetical protein 0.0096 0.1028 0.1419
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0214 0.021
Mycobacterium ulcerans glutaminase 0.058 0.7221 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0045 0.0054
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0359
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0333 0.0402
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0532 0.6407
Mycobacterium ulcerans pyruvate kinase 0.0039 0.0292 0.0208
Schistosoma mansoni tar DNA-binding protein 0.026 0.3121 0.3118
Loa Loa (eye worm) hypothetical protein 0.0144 0.164 0.2267
Echinococcus granulosus chromobox protein 1 0.0078 0.0791 0.0788
Plasmodium falciparum pyruvate kinase 0.0039 0.0292 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0188 0.2207 0.3053
Schistosoma mansoni microtubule-associated protein tau 0.0797 1 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0039 0.0292 0.0403
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0045 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0045 0.0054
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0214 0.2162
Giardia lamblia PHD finger protein 15 0.0032 0.0214 0.0197
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.1159 0.1155
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0143 0.0039
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0324 0.3943 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0663 0.8282 1
Entamoeba histolytica hypothetical protein 0.004 0.0311 0.0245
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.0673 0.067
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0802 1
Onchocerca volvulus 0.0538 0.6682 1
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0223 0.2279
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0696 0.0693
Schistosoma mansoni hypothetical protein 0.0032 0.0214 0.021
Loa Loa (eye worm) hypothetical protein 0.0039 0.0292 0.0399
Brugia malayi beta-lactamase 0.0036 0.0263 0.0363
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0359
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.0381 0.0378
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0142 0.0172
Echinococcus granulosus pyruvate kinase 0.0039 0.0292 0.0288
Schistosoma mansoni hypothetical protein 0.0535 0.6646 0.6645
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0079 0.0108
Mycobacterium leprae Probable pyruvate kinase PykA 0.0039 0.0292 0.0388
Loa Loa (eye worm) hypothetical protein 0.0027 0.0143 0.0193
Schistosoma mansoni hypothetical protein 0.0098 0.1057 0.1054
Brugia malayi Importin beta-1 subunit 0.0033 0.0223 0.0307
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0006 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0144 0.164 0.227
Loa Loa (eye worm) hypothetical protein 0.0068 0.0673 0.0928
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0333 0.3752
Echinococcus multilocularis peregrin 0.0032 0.0214 0.021
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0263 0.0312
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0078 0.0802 1
Echinococcus multilocularis snurportin 1 0.0354 0.4325 0.4323
Schistosoma mansoni alpha glucosidase 0.0042 0.0333 0.033
Trichomonas vaginalis protein kinase inhibitor, putative 0.0071 0.0704 0.085
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0263 0.2204
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0333 0.0272
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0473 0.5847 0.8097
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0333 0.0402
Brugia malayi Pyruvate kinase, M2 isozyme 0.0039 0.0292 0.0403
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0263 0.0318
Loa Loa (eye worm) hypothetical protein 0.0032 0.0214 0.0291
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0263 0.3399
Echinococcus multilocularis pyruvate kinase 0.003 0.0188 0.0184
Loa Loa (eye worm) glutaminase 2 0.058 0.7221 1
Brugia malayi MH2 domain containing protein 0.0016 0.0004 0.0004
Mycobacterium tuberculosis Conserved protein 0.0036 0.0263 0.0312
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.0144 0.1235
Loa Loa (eye worm) DnaJ domain-containing protein 0.0071 0.0704 0.0971
Echinococcus multilocularis microtubule associated protein 2 0.0797 1 1
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0311 0.0308
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0263 0.0312
Echinococcus granulosus importin subunit beta 1 0.0033 0.0223 0.0219
Onchocerca volvulus 0.0036 0.0263 0.0144
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0656 0.0904
Brugia malayi Pre-SET motif family protein 0.0068 0.0673 0.0931
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0223 0.162
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0214 0.021
Brugia malayi Inositol-1 0.0078 0.0802 0.1109
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0333 0.0402
Brugia malayi beta-lactamase family protein 0.0036 0.0263 0.0363
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0111 0.0152
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0359
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0292 0.0399
Brugia malayi glutaminase DH11.1 0.058 0.7221 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0322 0.0319
Loa Loa (eye worm) hypothetical protein 0.0033 0.0223 0.0303
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.0673 0.067
Schistosoma mansoni hypothetical protein 0.0412 0.5074 0.5072
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0696 0.0693
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0802 1
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0377 0.0373
Echinococcus multilocularis GPCR, family 2 0.0046 0.0381 0.0378
Mycobacterium ulcerans beta-lactamase 0.0036 0.0263 0.0168
Onchocerca volvulus 0.0034 0.0235 0.0101
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0169 0.0229
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0791 0.1091
Echinococcus granulosus chromobox protein 1 0.0078 0.0791 0.0788
Echinococcus granulosus dnaJ subfamily C 6 0.0071 0.0704 0.0701
Schistosoma mansoni tar DNA-binding protein 0.026 0.3121 0.3118
Entamoeba histolytica hypothetical protein 0.004 0.0311 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Brugia malayi latrophilin 2 splice variant baaae 0.0098 0.1057 0.1463
Echinococcus granulosus pyruvate kinase 0.0039 0.0292 0.0288
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0065 0.0633 0.063
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0322 0.0442
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0333 0.0402
Echinococcus granulosus cpg binding protein 0.0031 0.019 0.0187
Schistosoma mansoni cpg binding protein 0.0031 0.019 0.0187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Brugia malayi Pre-SET motif family protein 0.0473 0.5847 0.8098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.0381 0.0523
Entamoeba histolytica hypothetical protein 0.004 0.0311 0.0245
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0096 0.1028 0.1024
Echinococcus multilocularis geminin 0.0535 0.6646 0.6645
Loa Loa (eye worm) hypothetical protein 0.0046 0.0381 0.0523
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0292 0.0188
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0144 0.3857
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0068 0.0673 0.8288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0333 0.3219
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0333 0.033
Brugia malayi jmjC domain containing protein 0.0106 0.1159 0.1603
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0333 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0006 0.0007
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0078 0.0802 0.0846
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0333 0.3219
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0333 0.0402
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0223 0.162
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0355 0.0429
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0333 0.0402
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0068 0.0673 0.067
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0696 0.0693
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0111 0.0786
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0214 0.021
Echinococcus granulosus dnaJ subfamily B 0.0412 0.5074 0.5072
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0879 0.0876
Schistosoma mansoni alpha-glucosidase 0.0162 0.1872 0.1869
Mycobacterium ulcerans hypothetical protein 0.0036 0.0263 0.0168
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0081 0.0836 0.0832
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0696 0.8476
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0263 0.0318
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0263 0.0259
Schistosoma mansoni ran 0.0024 0.0111 0.0107
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0142 0.046
Brugia malayi RNA, U transporter 1 0.0094 0.1004 0.139
Giardia lamblia Pyruvate kinase 0.0039 0.0292 0.0292
Echinococcus multilocularis chromobox protein 1 0.0078 0.0791 0.0788
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0263 0.0312
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0324 0.3943 0.5367
Schistosoma mansoni hypothetical protein 0.0354 0.4325 0.4323
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0696 0.078
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0263 0.0318
Schistosoma mansoni cpg binding protein 0.0029 0.0169 0.0165
Schistosoma mansoni tar DNA-binding protein 0.026 0.3121 0.3118
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0263 0.2204
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0696 0.078
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.5074 0.5072
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0144 0.149
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0045 0.0054
Trypanosoma cruzi pyruvate kinase 2, putative 0.0039 0.0292 0.2621
Onchocerca volvulus Alhambra homolog 0.0032 0.0214 0.0069
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0791 0.0955
Chlamydia trachomatis pyruvate kinase 0.0039 0.0292 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Schistosoma mansoni tar DNA-binding protein 0.026 0.3121 0.3118
Brugia malayi Smad1 0.0016 0.0004 0.0004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0144 0.164 0.2267
Schistosoma mansoni inositol monophosphatase 0.0078 0.0802 0.0798
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0263 0.0168
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0263 0.0318
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0078 0.0802 0.0929
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0311 0.0308
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0263 0.0312
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0142 0.0172
Brugia malayi Heterochromatin protein 1 0.0078 0.0791 0.1094
Trichomonas vaginalis inositol monophosphatase, putative 0.0078 0.0802 0.0968
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.0381 0.0527
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0354 0.4325 0.5987
Toxoplasma gondii pyruvate kinase PyK1 0.0039 0.0292 0.3201
Schistosoma mansoni importin beta-1 0.0033 0.0223 0.0219
Loa Loa (eye worm) inositol-1 0.0078 0.0802 0.1106
Brugia malayi MH1 domain containing protein 0.0016 0.0004 0.0004
Loa Loa (eye worm) TAR-binding protein 0.026 0.3121 0.4319
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0263 0.0312
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0616 0.0613
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0333 0.0402
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0142 0.0172
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0144 0.164 0.227
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0359
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0355 0.0429
Leishmania major hypothetical protein, conserved 0.0036 0.0263 0.2204
Echinococcus granulosus L aminoadipate semialdehyde 0.0096 0.1028 0.1024
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0397 0.035
Trypanosoma brucei glucosidase, putative 0.0042 0.0333 0.3219
Echinococcus multilocularis inositol monophosphatase 1 0.0078 0.0802 0.0798
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0263 0.0312
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0355 0.0285
Schistosoma mansoni pyruvate kinase 0.0039 0.0292 0.0288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.0673 0.067
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0791 0.0955
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0333 0.046
Loa Loa (eye worm) glutaminase 0.058 0.7221 1
Brugia malayi MH2 domain containing protein 0.0016 0.0004 0.0004
Loa Loa (eye worm) beta-lactamase 0.0036 0.0263 0.0359
Brugia malayi MH1 domain containing protein 0.0016 0.0004 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0397 0.048
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0377 0.0373
Loa Loa (eye worm) hypothetical protein 0.0034 0.0235 0.032
Echinococcus multilocularis tar DNA binding protein 0.026 0.3121 0.3118
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.0381 0.0378
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.0292 0.0188
Leishmania major importin beta-1 subunit, putative 0.0027 0.0142 0.046
Trichomonas vaginalis set domain proteins, putative 0.0538 0.6682 0.8068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2765 0.69
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0263 0.2204
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0096 0.1028 0.1422
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0663 0.8282 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0333 0.033
Loa Loa (eye worm) pyruvate kinase 0.0039 0.0292 0.0399
Brugia malayi Glycosyl hydrolases family 31 protein 0.0188 0.2207 0.3056
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.0381 0.0378
Entamoeba histolytica hypothetical protein 0.0027 0.0144 0.0041
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0359
Onchocerca volvulus 0.0081 0.0836 0.1023
Leishmania major pyruvate kinase 0.0039 0.0292 0.2621
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0111 0.0107
Toxoplasma gondii ABC1 family protein 0.0036 0.0263 0.2817
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.007 0.0697 0.1454
Loa Loa (eye worm) RNA binding protein 0.026 0.3121 0.4319
Echinococcus granulosus pyruvate kinase 0.002 0.0052 0.0048
Leishmania major pyruvate kinase 0.0039 0.0292 0.2621
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.2807 0.3884
Echinococcus granulosus geminin 0.0535 0.6646 0.6645
Mycobacterium tuberculosis Conserved protein 0.0036 0.0263 0.0312
Echinococcus multilocularis pyruvate kinase 0.002 0.0052 0.0048
Loa Loa (eye worm) hypothetical protein 0.0043 0.0355 0.0487
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0111 0.2455

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 10.3 uM Antitubercular activity against Mycobacterium tuberculosis ChEMBL. 19900810

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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