Detailed information for compound 1008198

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.372 | Formula: C15H22N6O5
  • H donors: 4 H acceptors: 6 LogP: -1.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@@H](C(=O)OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N)N)C
  • InChi: 1S/C15H22N6O5/c1-6(2)8(16)15(24)25-3-7-10(22)11(23)14(26-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H2,17,18,19)/t7-,8+,10-,11+,14-/m1/s1
  • InChiKey: BMEANLWXFGBEDK-VOXJOEKMSA-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
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0043 0.0074
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0127 0.1167 0.1131
Onchocerca volvulus 0.0029 0.0174 0.0076
Echinococcus granulosus cpg binding protein 0.0031 0.0191 0.0171
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.035 0.0331
Echinococcus multilocularis thyroid hormone receptor alpha 0.0154 0.1436 0.1419
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0132 0.1217 0.12
Loa Loa (eye worm) hypothetical protein 0.0452 0.4451 0.4442
Brugia malayi steroid hormone receptor 0.0022 0.0098 0.0098
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0098 0.0058
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.026 0.0221
Onchocerca volvulus 0.0049 0.0379 0.0283
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0952 0.0913
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.027
Schistosoma mansoni smad1 5 8 and 0.0018 0.0062 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0204 0.1943 0.1911
Brugia malayi MH1 domain containing protein 0.0018 0.0062 0.0062
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0952 0.0913
Schistosoma mansoni hypothetical protein 0.0032 0.0209 0.0169
Onchocerca volvulus 0.0029 0.0169 0.0072
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0285 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0276
Schistosoma mansoni cpg binding protein 0.0031 0.0191 0.0151
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0285 0.0245
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.2067 0.2055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.082 0.0783
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Brugia malayi nuclear hormone receptor 0.0022 0.0098 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0199 0.016
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0358 0.0319
Loa Loa (eye worm) thymidylate synthase 0.1 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0098 0.0058
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0098 0.0084
Mycobacterium ulcerans thymidylate synthase 0.1 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0098 0.0098
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0285 0.0245
Plasmodium vivax glutathione reductase, putative 0.0046 0.035 0.0308
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0043 0.0003
Entamoeba histolytica hypothetical protein 0.015 0.1398 1
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.4064 0.4052
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0285 0.027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.015 0.1398 0.1381
Echinococcus granulosus ferritin 0.0017 0.0048 0.0029
Brugia malayi hypothetical protein 0.0476 0.4695 0.4695
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0098 0.0079
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0131 0.0261
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0035 0.0035
Mycobacterium tuberculosis Conserved protein 0.004 0.0285 0.0242
Brugia malayi hypothetical protein 0.015 0.1398 0.1398
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0098 0.0079
Echinococcus granulosus tar DNA binding protein 0.0204 0.1943 0.1927
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.026 0.0537
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.0048 0.0005
Plasmodium falciparum thioredoxin reductase 0.0046 0.035 0.0308
Brugia malayi Smad1 0.0018 0.0062 0.0062
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0952 0.0913
Echinococcus granulosus intermediate filament protein 0.0029 0.0169 0.015
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0277
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0243 0.2335 0.2324
Echinococcus granulosus smad 0.0018 0.0062 0.0042
Brugia malayi CXXC zinc finger family protein 0.0029 0.0174 0.0174
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.004 0.0068
Brugia malayi ecdysteroid receptor 0.0022 0.0098 0.0098
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0132 0.1217 0.12
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0098 0.0079
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.027
Echinococcus multilocularis lamin 0.0029 0.0169 0.015
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0131 0.0131
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0209 0.0209
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0285 0.0242
Schistosoma mansoni intermediate filament proteins 0.0029 0.0169 0.0129
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0098 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0204 0.1943 0.1911
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Schistosoma mansoni microtubule-associated protein tau 0.0748 0.7444 0.7434
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0043 0.0023
Echinococcus granulosus tumor protein p63 0.0336 0.3284 0.327
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0127 0.1167 0.1149
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0209 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0098 0.0084
Schistosoma mansoni hypothetical protein 0.0413 0.4064 0.404
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0062 0.0042
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0285 0.0242
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0918 0.0918
Mycobacterium ulcerans hypothetical protein 0.0169 0.1586 0.155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.004 0.0068
Brugia malayi Pre-SET motif family protein 0.0032 0.0199 0.0199
Brugia malayi beta-lactamase 0.004 0.0285 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0098 0.0098
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0358 0.0319
Loa Loa (eye worm) hypothetical protein 0.0032 0.0209 0.0195
Echinococcus granulosus thymidylate synthase 0.1 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0098 0.0079
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.035 0.0308
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.019 0.0388
Loa Loa (eye worm) hypothetical protein 0.0029 0.0169 0.0155
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0199 0.018
Schistosoma mansoni ferritin light chain 0.0017 0.0048 0.0008
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0199 0.0157
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0358 0.0339
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.1167 0.1128
Schistosoma mansoni smad 0.0018 0.0062 0.0022
Onchocerca volvulus 0.0246 0.2368 0.2292
Onchocerca volvulus 0.0029 0.0169 0.0072
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0285 0.0265
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0515 0.0476
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0131 0.0088
Loa Loa (eye worm) transcription factor SMAD2 0.0264 0.2547 0.2537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0209 0.0189
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0098 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0199 0.016
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0131 0.0111
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.082 0.0802
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0098 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.026 0.0537
Schistosoma mansoni hypothetical protein 0.007 0.059 0.0552
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0098 0.0098
Schistosoma mansoni coup transcription factor 0.0022 0.0098 0.0058
Brugia malayi RNA binding protein 0.0204 0.1943 0.1943
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0204 0.1943 0.1943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0163 0.0329
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.032 0.3119 0.3091
Entamoeba histolytica hypothetical protein 0.015 0.1398 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0336 0.0297
Giardia lamblia GTOR 0.0047 0.0358 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0098 0.0098
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0131 0.0088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0276
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0098 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0043 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0098 0.0058
Loa Loa (eye worm) hypothetical protein 0.0028 0.0164 0.015
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0062 0.0048
Mycobacterium ulcerans lipase LipD 0.004 0.0285 0.0242
Echinococcus multilocularis lamin dm0 0.0029 0.0169 0.015
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0285 0.0589
Schistosoma mansoni hypothetical protein 0.0531 0.5255 0.5236
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0285 0.0242
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.015 0.1398 0.1381
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.004 0.0021
Onchocerca volvulus 0.0049 0.0381 0.0285
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0098 0.0079
Brugia malayi nuclear receptor NHR-88 0.0022 0.0098 0.0098
Echinococcus multilocularis expressed protein 0.0017 0.0048 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.004 0.0068
Entamoeba histolytica hypothetical protein 0.015 0.1398 1
Schistosoma mansoni cpg binding protein 0.0031 0.0191 0.0151
Schistosoma mansoni transcription factor LCR-F1 0.015 0.1398 0.1363
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0098 0.0058
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0043 0.0003
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.2335 0.232
Schistosoma mansoni thyroid hormone receptor 0.0154 0.1436 0.1401
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0098 0.0058
Echinococcus multilocularis tumor protein p63 0.0336 0.3284 0.327
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1413 0.1378
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0098 0.0098
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1072 0.1033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0277
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0098 0.0079
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0182 0.0162
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0209 0.0195
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0131 0.0091
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0.0048 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0285 0.0245
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0336 0.0297
Loa Loa (eye worm) RNA binding protein 0.0204 0.1943 0.1932
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0098 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0166 0.0335
Brugia malayi MH1 domain containing protein 0.0018 0.0062 0.0062
Onchocerca volvulus 0.0452 0.4451 0.4395
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0918 0.0905
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0277
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0285 0.0245
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.004 0.0026
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.027
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0358 0.0344
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.2463 0.243
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0169 0.0169
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0043 0.0003
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0127 0.1167 0.1149
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0358 0.0319
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0199 0.018
Onchocerca volvulus 0.004 0.0285 0.0188
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0204 0.1943 0.1932
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.0048 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0.0048 0.0005
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.035 0.0336
Plasmodium vivax SET domain protein, putative 0.0032 0.0199 0.0157
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0035 0.0021
Mycobacterium ulcerans beta-lactamase 0.004 0.0285 0.0242
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0043 0.0003
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0952 0.0913
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0131 0.2786
Echinococcus multilocularis geminin 0.0531 0.5255 0.5245
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1 1 1
Schistosoma mansoni cpg binding protein 0.0029 0.0174 0.0134
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.0235 0.0193
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0043 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.059 0.059
Schistosoma mansoni hypothetical protein 0.0032 0.0209 0.0169
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0043 0.0003
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0131 0.0131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0276
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0098 0.0098
Echinococcus multilocularis ferritin 0.0017 0.0048 0.0029
Echinococcus multilocularis tar DNA binding protein 0.0204 0.1943 0.1927
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0131 0.0091
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0358 0.1791
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0098 0.0079
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.026 0.0221
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0043 0.0003
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.1167 0.1131
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.035 0.0308
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0285 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.026 0.0537
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0098 0.0098
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0174 0.016
Schistosoma mansoni lamin 0.0029 0.0169 0.0129
Trypanosoma brucei mitochondrial DNA polymerase beta 0.032 0.3119 0.3091
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0048 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0098 0.0079
Schistosoma mansoni hypothetical protein 0.0531 0.5255 0.5236
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0098 0.0079
Schistosoma mansoni apoferritin-2 0.0017 0.0048 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.004 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0163 0.0329
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0358 0.0339
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0209 0.0189
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0043 0.0003
Mycobacterium tuberculosis Conserved protein 0.004 0.0285 0.0242
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0381 0.0381
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0131 0.0091
Leishmania major hypothetical protein, conserved 0.004 0.0285 0.0245
Schistosoma mansoni ferritin 0.0017 0.0048 0.0008
Loa Loa (eye worm) runx1 0.0057 0.0454 0.044
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.0952 0.0908
Schistosoma mansoni lozenge 0.0057 0.0454 0.0415
Schistosoma mansoni hypothetical protein 0.0132 0.1217 0.1182
Brugia malayi hypothetical protein 0.0243 0.2335 0.2335
Brugia malayi MH2 domain containing protein 0.0264 0.2547 0.2547
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0098 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0204 0.1943 0.1911
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0138 0.0277
Mycobacterium tuberculosis Hypothetical protein 0.0476 0.4695 0.4672
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0043 0.0043
Echinococcus granulosus lamin 0.0029 0.0169 0.015
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0358 0.0319
Echinococcus granulosus Smad4 0.0018 0.0062 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0285 0.0589
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0098 0.0058
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0166 0.0335
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0098 0.0058
Echinococcus multilocularis musashi 0.0029 0.0169 0.015
Echinococcus granulosus GPCR family 2 0.0032 0.0209 0.0189
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0062 0.0042
Schistosoma mansoni hypothetical protein 0.0032 0.0209 0.0169
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0062 0.0042
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0098 0.0079
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0285 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Toxoplasma gondii thioredoxin reductase 0.0046 0.035 0.0308
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0285 0.0242
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.004 0.004
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0098 0.0098
Leishmania major trypanothione reductase 0.0046 0.035 0.0311
Schistosoma mansoni hypothetical protein 0.015 0.1398 0.1363
Schistosoma mansoni ferritin 0.0017 0.0048 0.0008
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0043 0.0074
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0448 0.0407
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0166 0.0335
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.032 0.3119 0.3091
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0131 0.0091
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0062 0.0042
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0043 0.0003
Brugia malayi MH2 domain containing protein 0.0018 0.0062 0.0062
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0098 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0358 0.0745
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0098 0.0079
Mycobacterium tuberculosis Conserved hypothetical protein 0.0169 0.1586 0.155
Trichomonas vaginalis chaperonin, putative 0.0025 0.0131 0.0261
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0379 0.0339
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0285 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0358 0.0745
Echinococcus multilocularis thymidylate synthase 0.1 1 1
Leishmania major mitochondrial DNA polymerase beta 0.032 0.3119 0.3091
Trypanosoma brucei trypanothione reductase 0.0046 0.035 0.0311
Schistosoma mansoni thyroid hormone receptor 0.0154 0.1436 0.1401
Schistosoma mansoni lamin 0.0029 0.0169 0.0129
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0285 0.0589
Brugia malayi Pre-SET motif family protein 0.0216 0.2067 0.2067
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0098 0.0079
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0358 0.1791
Entamoeba histolytica hypothetical protein 0.015 0.1398 1
Mycobacterium tuberculosis Probable reductase 0.0106 0.0952 0.0913
Echinococcus granulosus geminin 0.0531 0.5255 0.5245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.082 0.0802
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0358 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0098 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0199 0.016
Brugia malayi Thioredoxin reductase 0.0046 0.035 0.035
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0062 0.0022
Onchocerca volvulus 0.004 0.0285 0.0188
Loa Loa (eye worm) hypothetical protein 0.0049 0.0379 0.0365
Loa Loa (eye worm) MH2 domain-containing protein 0.0264 0.2547 0.2537
Schistosoma mansoni tar DNA-binding protein 0.0204 0.1943 0.1911
Loa Loa (eye worm) hypothetical protein 0.0452 0.4451 0.4442
Echinococcus multilocularis Protein lozenge 0.0057 0.0454 0.0435
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1413 0.1378
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0336 0.0297
Brugia malayi hypothetical protein 0.0452 0.4451 0.4451
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0209 0.0189
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0199 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.026 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Mycobacterium leprae conserved hypothetical protein 0.004 0.0285 0.0237
Echinococcus multilocularis smad 0.0018 0.0062 0.0042
Toxoplasma gondii aldehyde dehydrogenase 0.0127 0.1167 0.1128
Schistosoma mansoni hypothetical protein 0.0049 0.0381 0.0342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.082 0.0807
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0098 0.0084
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Loa Loa (eye worm) hypothetical protein 0.0014 0.002 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.082 0.0783
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.1167 0.1128
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0285 0.0245
Mycobacterium leprae Probable lipase LipE 0.004 0.0285 0.0237
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.027
Echinococcus granulosus expressed protein 0.0017 0.0048 0.0029
Trichomonas vaginalis set domain proteins, putative 0.0246 0.2368 0.5034
Loa Loa (eye worm) glutathione reductase 0.0046 0.035 0.0336
Onchocerca volvulus 0.0032 0.0199 0.0102
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0336 0.0297
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.082 0.082
Plasmodium vivax hypothetical protein, conserved 0.004 0.0285 0.0242
Loa Loa (eye worm) beta-lactamase 0.004 0.0285 0.027
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.2335 0.232
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0043 0.0023
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0169 0.0155
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0098 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0131 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0235 0.0484
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.1167 0.1131
Schistosoma mansoni hypothetical protein 0.0032 0.0209 0.0169
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0079 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0098 0.0098
Plasmodium falciparum glutathione reductase 0.0046 0.035 0.0308
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0131 0.0091
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.0048 0.0005
Echinococcus multilocularis cpg binding protein 0.0031 0.0191 0.0171
Trichomonas vaginalis esterase, putative 0.004 0.0285 0.0589
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0169 0.0155
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0288 0.0596
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0199 0.016
Trichomonas vaginalis ferritin, putative 0.0017 0.0048 0.0085
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1072 0.1033
Brugia malayi MH2 domain containing protein 0.0018 0.0062 0.0062
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.035 0.0311
Echinococcus granulosus dnaJ subfamily B 0.0413 0.4064 0.4052
Schistosoma mansoni Smad4 0.0018 0.0062 0.0022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0098 0.0084
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0201 0.041
Schistosoma mansoni smad1 5 8 and 0.0018 0.0062 0.0022
Brugia malayi glutathione reductase 0.0046 0.035 0.035
Schistosoma mansoni tar DNA-binding protein 0.0204 0.1943 0.1911
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0131 0.0088
Echinococcus granulosus lamin dm0 0.0029 0.0169 0.015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0358 0.0745
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0098 0.0098
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0062 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.082 0.0783
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.082 0.0802
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.035 0.0331
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0435 0.0397
Mycobacterium tuberculosis Conserved protein 0.004 0.0285 0.0242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.082 0.0802
Echinococcus multilocularis Smad4 0.0018 0.0062 0.0042
Onchocerca volvulus 0.004 0.0285 0.0188
Brugia malayi beta-lactamase family protein 0.004 0.0285 0.0285
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.1413 0.1378
Echinococcus granulosus microtubule associated protein 2 0.0748 0.7444 0.7439
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0098 0.0058
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0098 0.0058
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1 1 1
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0131 0.0116
Schistosoma mansoni ferritin light chain 0.0017 0.0048 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.026 0.0537
Schistosoma mansoni apoferritin-2 0.0017 0.0048 0.0008
Loa Loa (eye worm) hypothetical protein 0.0032 0.0199 0.0185
Mycobacterium ulcerans hypothetical protein 0.004 0.0285 0.0242
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0285 0.0285
Toxoplasma gondii ABC1 family protein 0.004 0.0285 0.0242
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0285 0.0242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0098 0.0084
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0358 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0476 0.4695 1
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.027
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1 1 1
Schistosoma mansoni ferritin 0.0017 0.0048 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0285 0.0589
Brugia malayi intermediate filament protein 0.0029 0.0169 0.0169
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0476 0.4695 0.4673
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0098 0.0098
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Loa Loa (eye worm) hypothetical protein 0.0103 0.0918 0.0905
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.1167 0.1128
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.004 0.0021
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0952 0.0913
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.026 0.0221
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0358 0.0319
Brugia malayi beta-lactamase family protein 0.004 0.0285 0.0285
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0358 0.0319
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0285 0.0242
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0285 0.0242
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0106 0.0066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.004 0.0068
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1072 0.1029
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1072 0.1033
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.027
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.059 0.0576
Schistosoma mansoni smad1 5 8 and 0.0018 0.0062 0.0022
Toxoplasma gondii hypothetical protein 0.0052 0.0403 0.0361
Loa Loa (eye worm) TAR-binding protein 0.0204 0.1943 0.1932
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0098 0.0079
Schistosoma mansoni survival motor neuron protein 0.0049 0.0381 0.0342
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0043 0.0003
Echinococcus multilocularis GPCR, family 2 0.0032 0.0209 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0098 0.0084
Onchocerca volvulus 0.1 1 1
Loa Loa (eye worm) Smad1 0.0018 0.0062 0.0048
Echinococcus multilocularis microtubule associated protein 2 0.0748 0.7444 0.7439
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0043 0.0003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0127 0.1167 0.1128
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0098 0.0079
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0918 0.0918
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0131 0.0111
Schistosoma mansoni ferritin 0.0017 0.0048 0.0008
Brugia malayi TAR-binding protein 0.0204 0.1943 0.1943

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 100 uM Cytotoxicity against HFF ChEMBL. 19097789
Drug uptake (ADMET) = 3.9 nmol/mg Cellular uptake in human HeLa cells after 45 mins ChEMBL. 19097789
Drug uptake (ADMET) = 80.3 nmol/mg Cellular uptake in human HeLa cells expressing human PEPT1 transporter after 45 mins ChEMBL. 19097789

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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