Detailed information for compound 1007025

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 592.718 | Formula: C32H48O10
  • H donors: 3 H acceptors: 5 LogP: 2.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@@H]([C@@H]1O)C
  • InChi: 1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1
  • InChiKey: UZQOZJNEDXAJEZ-VZJXLKLWSA-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 histone-lysine n-methyltransferase setb1 0.0064 0.0259 0.0464
Brugia malayi beta-lactamase 0.015 0.074 0.1326
Plasmodium falciparum thioredoxin reductase 0.005 0.0181 1
Schistosoma mansoni ets-related 0.0253 0.1312 0.2351
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.074 0.1326
Brugia malayi Pre-SET motif family protein 0.0437 0.2338 0.4191
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.074 0.4113
Brugia malayi follicle stimulating hormone receptor 0.0708 0.3844 0.689
Entamoeba histolytica hypothetical protein 0.019 0.0963 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0098 0.0172
Schistosoma mansoni kinase 0.0058 0.0227 0.0408
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.074 0.2767
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0139 0.0139
Schistosoma mansoni CD36-like class B scavenger receptor 0.1019 0.5579 1
Echinococcus multilocularis neuropeptide s receptor 0.0469 0.2514 0.2514
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.034 0.1799 1
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0219 0.0392
Schistosoma mansoni transcription factor LCR-F1 0.019 0.0963 0.1727
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.019 0.0963 0.1727
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0139 0.0139
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.034 0.1799 1
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0181 0.0325
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0241 0.0902
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.017 0.0947
Echinococcus multilocularis beta LACTamase domain containing family member 0.015 0.074 0.074
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0002 0.0004
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0537 0.2988
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0119 0.0567 0.1017
Mycobacterium ulcerans hypothetical protein 0.0179 0.0902 0.5218
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0061 0.0241 0.1341
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0061 0.0241 0.0428
Brugia malayi CXXC zinc finger family protein 0.0056 0.0217 0.0388
Loa Loa (eye worm) hypothetical protein 0.0056 0.0213 0.0377
Schistosoma mansoni cd36 antigen 0.0385 0.2047 0.367
Entamoeba histolytica hypothetical protein 0.019 0.0963 1
Onchocerca volvulus 0.0053 0.0201 0.0187
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.0902 0.172
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0072 0.013
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.017 0.0947
Plasmodium falciparum phd finger protein, putative 0.0035 0.0098 0.5435
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0139 0.0139
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0083 0.0368 0.0655
Loa Loa (eye worm) beta-lactamase 0.015 0.074 0.1322
Toxoplasma gondii hypothetical protein 0.0055 0.021 0.2832
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0259 0.0259
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0259 0.0464
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0139 0.0249
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.0537 0.1023
Schistosoma mansoni survival motor neuron protein 0.0053 0.0201 0.036
Loa Loa (eye worm) hypothetical protein 0.0119 0.0567 0.1013
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0072 0.0126
Brugia malayi MH2 domain containing protein 0.0018 0.0002 0.0004
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0537 0.0963
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.019 0.0963 0.0963
Trypanosoma brucei protein kinase, putative 0.0061 0.0241 0.1341
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.0139 0.768
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0537 0.0963
Brugia malayi jmjC domain containing protein 0.0046 0.0157 0.0282
Brugia malayi Ets-domain containing protein 0.0083 0.0368 0.0659
Schistosoma mansoni smad1 5 8 and 0.0018 0.0002 0.0004
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0061 0.0241 0.1341
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.0235 0.0422
Schistosoma mansoni hypothetical protein 0.0119 0.0567 0.1017
Onchocerca volvulus 0.015 0.074 0.117
Loa Loa (eye worm) hypothetical protein 0.0026 0.005 0.0085
Plasmodium vivax glutathione reductase, putative 0.005 0.0181 0.245
Trichomonas vaginalis esterase, putative 0.015 0.074 0.2767
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.017 0.0947
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.015 0.074 0.1322
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.0235 0.0422
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0138 0.077
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0114 0.0541 0.0541
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0235 0.0235
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0065 0.0363
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.074 0.2767
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0239 0.0429
Echinococcus granulosus CD36 class B scavenger receptor 0.1019 0.5579 1
Entamoeba histolytica hypothetical protein 0.019 0.0963 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0002 0.0002
Schistosoma mansoni jumonji/arid domain-containing protein 0.0046 0.0157 0.0282
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0537 0.0801
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.0563 0.1009
Schistosoma mansoni lipoxygenase 0.0118 0.0563 0.1009
Brugia malayi F/Y-rich N-terminus family protein 0.0031 0.0076 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0259 0.0464
Echinococcus granulosus Smad4 0.0018 0.0002 0.0004
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0002 0.0004
Onchocerca volvulus 0.0498 0.2674 0.4699
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0139 0.1882
Echinococcus multilocularis CD36 class B scavenger receptor 0.1019 0.5579 0.5579
Loa Loa (eye worm) glutathione reductase 0.005 0.0181 0.0321
Loa Loa (eye worm) hypothetical protein 0.0148 0.073 0.1306
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0241 0.0902
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0078 0.0335 0.1255
Loa Loa (eye worm) histone methyltransferase 0.002 0.0013 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0159 0.0286
Brugia malayi hypothetical protein 0.0262 0.136 0.2438
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.015 0.074 0.428
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0607 0.1158
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0002 0.0002
Loa Loa (eye worm) glutaminase 0.0328 0.1729 0.3095
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0138 0.0264
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0098 0.0177
Brugia malayi Thioredoxin reductase 0.005 0.0181 0.0325
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0098 0.1331
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0098 0.0177
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0065 0.3602
Schistosoma mansoni hypothetical protein 0.0542 0.2921 0.5236
Echinococcus granulosus RUN 0.0042 0.0139 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Trypanosoma brucei polo-like protein kinase 0.0114 0.0537 0.2988
Echinococcus granulosus GPCR family 2 0.0119 0.0567 0.1017
Echinococcus granulosus smad 0.0018 0.0002 0.0004
Schistosoma mansoni rab6-interacting 0.0042 0.0139 0.0249
Schistosoma mansoni intermediate filament proteins 0.0057 0.0219 0.0392
Echinococcus multilocularis smad 0.0018 0.0002 0.0002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0119 0.0567 0.0567
Echinococcus granulosus lysine specific demethylase 5A 0.0046 0.0157 0.0282
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0065 0.3602
Brugia malayi beta-lactamase family protein 0.015 0.074 0.1326
Echinococcus multilocularis GA binding protein alpha chain 0.0083 0.0368 0.0368
Mycobacterium leprae conserved hypothetical protein 0.015 0.074 1
Brugia malayi glutathione reductase 0.005 0.0181 0.0325
Schistosoma mansoni Smad4 0.0018 0.0002 0.0004
Onchocerca volvulus 0.0064 0.0259 0.0293
Brugia malayi CD36 family protein 0.1019 0.5579 1
Schistosoma mansoni hypothetical protein 0.0053 0.0201 0.036
Plasmodium vivax SET domain protein, putative 0.0064 0.0259 0.35
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0139 0.0249
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0138 0.0248
Echinococcus granulosus CD36 class B scavenger receptor 0.1019 0.5579 1
Mycobacterium ulcerans hypothetical protein 0.015 0.074 0.428
Loa Loa (eye worm) jmjC domain-containing protein 0.0046 0.0157 0.0278
Schistosoma mansoni lipoxygenase 0.0042 0.0139 0.0249
Echinococcus granulosus CD36 class B scavenger receptor 0.1019 0.5579 1
Loa Loa (eye worm) hypothetical protein 0.015 0.074 0.1322
Brugia malayi MH1 domain containing protein 0.0018 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0029 0.0065 0.0113
Brugia malayi MH2 domain containing protein 0.0018 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0057 0.0219 0.0388
Schistosoma mansoni hypothetical protein 0.0119 0.0567 0.1017
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0138 0.077
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0159 0.0282
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.015 0.074 0.1326
Mycobacterium ulcerans glutaminase 0.0328 0.1729 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.005 0.0085
Schistosoma mansoni smad1 5 8 and 0.0018 0.0002 0.0004
Echinococcus granulosus neuropeptide receptor A26 0.0469 0.2514 0.4507
Echinococcus multilocularis microtubule associated protein 2 0.0692 0.3754 0.3754
Echinococcus granulosus muscleblind protein 0.0148 0.073 0.1309
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0537 0.0537
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0078 0.0335 0.0601
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0078 0.0335 0.0601
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.015 0.074 0.1411
Echinococcus granulosus lamin dm0 0.0057 0.0219 0.0392
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0708 0.3844 0.6889
Plasmodium vivax hypothetical protein, conserved 0.015 0.074 1
Brugia malayi MH2 domain containing protein 0.026 0.135 0.242
Loa Loa (eye worm) hypothetical protein 0.1019 0.5579 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0213 0.0377
Mycobacterium tuberculosis Probable conserved lipoprotein 0.015 0.074 0.1411
Loa Loa (eye worm) glutaminase 2 0.0328 0.1729 0.3095
Onchocerca volvulus 0.0042 0.0139 0.0074
Brugia malayi MAP kinase sur-1 0.0061 0.0241 0.0432
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0138 0.0244
Leishmania major trypanothione reductase 0.005 0.0181 0.1007
Plasmodium falciparum glutathione reductase 0.005 0.0181 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0002 0.0004
Schistosoma mansoni ap endonuclease 0.0042 0.0138 0.0248
Echinococcus multilocularis dnaJ subfamily B 0.0401 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0035 0.0098 0.0172
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0181 0.0346
Brugia malayi Doublecortin family protein 0.0042 0.0139 0.0249
Brugia malayi hypothetical protein 0.0042 0.0139 0.0249
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0139 0.0249
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.0235 0.1361
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0537 0.4836
Loa Loa (eye worm) latrophilin receptor protein 2 0.0119 0.0567 0.1013
Loa Loa (eye worm) hypothetical protein 0.1019 0.5579 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0119 0.0567 0.0567
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.0335 0.1865
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0061 0.0241 0.1341
Entamoeba histolytica hypothetical protein 0.019 0.0963 1
Leishmania major hypothetical protein, conserved 0.0029 0.0065 0.0363
Echinococcus multilocularis muscleblind protein 1 0.0148 0.073 0.073
Schistosoma mansoni hypothetical protein 0.0119 0.0567 0.1017
Loa Loa (eye worm) transcription factor SMAD2 0.026 0.135 0.2417
Echinococcus granulosus intermediate filament protein 0.0057 0.0219 0.0392
Onchocerca volvulus 0.0057 0.0219 0.0219
Schistosoma mansoni microtubule-associated protein tau 0.0692 0.3754 0.6729
Schistosoma mansoni hypothetical protein 0.0542 0.2921 0.5236
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0229 0.1271
Echinococcus multilocularis mitogen activated protein kinase 3 0.0061 0.0241 0.0241
Schistosoma mansoni hypothetical protein 0.0257 0.1337 0.2397
Schistosoma mansoni smad 0.0018 0.0002 0.0004
Brugia malayi Bromodomain containing protein 0.0035 0.0098 0.0177
Leishmania major mitochondrial DNA polymerase beta 0.034 0.1799 1
Brugia malayi hypothetical protein 0.0042 0.0139 0.0249
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0377 0.2001 0.3583
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0119 0.0567 0.1017
Schistosoma mansoni cpg binding protein 0.0059 0.0234 0.042
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0607 0.1158
Echinococcus multilocularis geminin 0.0542 0.2921 0.2921
Toxoplasma gondii thioredoxin reductase 0.005 0.0181 0.245
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.0235 0.1361
Brugia malayi hypothetical protein 0.0385 0.2047 0.367
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0119 0.0567 0.1017
Schistosoma mansoni polycystin 1-related 0.0042 0.0139 0.0249
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.0335 0.1865
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.0801 0.4451
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0056 0.0056
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0121 0.058 0.104
Loa Loa (eye worm) hypothetical protein 0.006 0.0238 0.0422
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0607 0.3473
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0259 0.0464
Echinococcus granulosus cpg binding protein 0.0059 0.0234 0.042
Schistosoma mansoni jumonji/arid domain-containing protein 0.0046 0.0157 0.0282
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0138 0.077
Loa Loa (eye worm) MH2 domain-containing protein 0.026 0.135 0.2417
Brugia malayi Ets-domain containing protein 0.0083 0.0368 0.0659
Loa Loa (eye worm) hypothetical protein 0.0078 0.0335 0.0597
Giardia lamblia Kinase, PLK 0.0114 0.0537 1
Echinococcus granulosus GA binding protein alpha chain 0.0083 0.0368 0.0659
Brugia malayi hypothetical protein 0.0019 0.0008 0.0014
Brugia malayi Fli-1 protein 0.0253 0.1312 0.2351
Schistosoma mansoni CD36-like class B scavenger receptor 0.1019 0.5579 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0138 0.077
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0377 0.2001 0.3586
Echinococcus granulosus mitogen activated protein kinase 0.0061 0.0241 0.0432
Echinococcus granulosus lamin 0.0057 0.0219 0.0392
Echinococcus multilocularis lamin 0.0057 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.0257 0.1337 0.2394
Onchocerca volvulus 0.0056 0.0217 0.0216
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0013 0.0024
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.0259 0.0259
Echinococcus multilocularis lysosome membrane protein 2 0.1019 0.5579 0.5579
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0306 0.0544
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.0537 0.1023
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0138 0.764
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0219 0.0388
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0159 0.0159
Schistosoma mansoni rab6-interacting 0.0042 0.0139 0.0249
Echinococcus multilocularis CD36 class B scavenger receptor 0.1019 0.5579 0.5579
Loa Loa (eye worm) hypothetical protein 0.0027 0.0056 0.0096
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0259 0.35
Toxoplasma gondii ABC1 family protein 0.015 0.074 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0056 0.01
Echinococcus multilocularis muscleblind protein 0.0148 0.073 0.073
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0181 0.0321
Echinococcus granulosus lysosome membrane protein 2 0.1019 0.5579 1
Loa Loa (eye worm) hypothetical protein 0.0385 0.2047 0.3667
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0061 0.0241 0.1341
Loa Loa (eye worm) hypothetical protein 0.015 0.074 0.1322
Echinococcus multilocularis CD36 class B scavenger receptor 0.1019 0.5579 0.5579
Brugia malayi beta-lactamase family protein 0.015 0.074 0.1326
Mycobacterium tuberculosis Conserved protein 0.015 0.074 0.1411
Brugia malayi glutaminase DH11.1 0.0328 0.1729 0.3098
Trypanosoma brucei mitochondrial DNA polymerase beta 0.034 0.1799 1
Mycobacterium tuberculosis Probable reductase 0.0114 0.0537 0.1023
Onchocerca volvulus 0.0042 0.0139 0.0074
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.0235 0.0449
Schistosoma mansoni glutaminase 0.0328 0.1729 0.3098
Schistosoma mansoni cpg binding protein 0.0056 0.0217 0.0388
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.0563 0.0563
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.017 0.0947
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0138 0.0138
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.0139 0.0139
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.074 0.2767
Mycobacterium tuberculosis Conserved protein 0.015 0.074 0.1411
Onchocerca volvulus 0.015 0.074 0.117
Schistosoma mansoni smad1 5 8 and 0.0018 0.0002 0.0004
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0175 0.0175
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0078 0.0335 0.0601
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0078 0.0335 0.1255
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0138 0.0248
Echinococcus multilocularis lamin dm0 0.0057 0.0219 0.0219
Mycobacterium ulcerans esterase/lipase LipP 0.015 0.074 0.428
Loa Loa (eye worm) hypothetical protein 0.0071 0.03 0.0534
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0065 0.0363
Brugia malayi MH1 domain containing protein 0.0018 0.0002 0.0004
Mycobacterium ulcerans lipase LipD 0.015 0.074 0.428
Echinococcus multilocularis CD36 class B scavenger receptor 0.1019 0.5579 0.5579
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0078 0.0335 0.6242
Echinococcus granulosus neuropeptide s receptor 0.0469 0.2514 0.4507
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0138 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.0138 0.2576
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0219 0.0819
Loa Loa (eye worm) hypothetical protein 0.0042 0.0139 0.0245
Trichomonas vaginalis glutaminase, putative 0.0328 0.1729 0.6465
Schistosoma mansoni lamin 0.0057 0.0219 0.0392
Echinococcus multilocularis musashi 0.0057 0.0219 0.0219
Echinococcus multilocularis neuropeptide receptor A26 0.0469 0.2514 0.2514
Schistosoma mansoni lamin 0.0057 0.0219 0.0392
Echinococcus multilocularis RUN 0.0042 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0377 0.2001 0.3583
Echinococcus multilocularis cpg binding protein 0.0059 0.0234 0.0234
Trypanosoma brucei trypanothione reductase 0.005 0.0181 0.1007
Giardia lamblia PHD finger protein 15 0.0035 0.0098 0.1833
Brugia malayi Pre-SET motif family protein 0.0064 0.0259 0.0464
Loa Loa (eye worm) hypothetical protein 0.0262 0.136 0.2435
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0078 0.0335 0.0335
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0159 0.0159
Brugia malayi Smad1 0.0018 0.0002 0.0004
Brugia malayi hypothetical protein 0.0385 0.2047 0.367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0159 0.0286
Echinococcus granulosus CD36 class B scavenger receptor 0.1019 0.5579 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0013 0.0013
Trichomonas vaginalis set domain proteins, putative 0.0498 0.2674 1
Mycobacterium tuberculosis Probable esterase LipL 0.015 0.074 0.1411
Mycobacterium leprae Probable lipase LipE 0.015 0.074 1
Loa Loa (eye worm) hypothetical protein 0.015 0.074 0.1322
Schistosoma mansoni hypothetical protein 0.0119 0.0567 0.1017
Echinococcus granulosus beta LACTamase domain containing family member 0.015 0.074 0.1326
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0065 0.0882
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0159 0.0286
Brugia malayi PHD-finger family protein 0.0035 0.0098 0.0177
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.136 0.136
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0098 0.1331
Schistosoma mansoni hypothetical protein 0.0035 0.0098 0.0177
Toxoplasma gondii exonuclease III APE 0.0042 0.0138 0.1872
Trichomonas vaginalis penicillin-binding protein, putative 0.015 0.074 0.2767
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0078 0.0335 0.2388
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0078 0.0335 0.0601
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0065 0.0363
Loa Loa (eye worm) hypothetical protein 0.0385 0.2047 0.3667
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.0138 1
Mycobacterium tuberculosis Probable hydrolase 0.015 0.074 0.1411
Brugia malayi hypothetical protein 0.0029 0.0065 0.0117
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0537 0.2988
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0537 0.0959
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0098 0.1331
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.074 0.4113
Schistosoma mansoni hypothetical protein 0.019 0.0963 0.1727
Echinococcus granulosus CD36 class B scavenger receptor 0.1019 0.5579 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0078 0.0335 0.0335
Echinococcus multilocularis GPCR, family 2 0.0119 0.0567 0.0567
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0098 0.0098
Brugia malayi Calcitonin receptor-like protein seb-1 0.0377 0.2001 0.3586
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0181 0.1007
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.0335 0.1865
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.046
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0061 0.0241 0.1341
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0139 0.0245
Loa Loa (eye worm) hypothetical protein 0.0148 0.073 0.1306
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0607 0.1158
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0061 0.0241 0.326
Schistosoma mansoni ap endonuclease 0.0042 0.0138 0.0248
Loa Loa (eye worm) hypothetical protein 0.015 0.074 0.1322
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.0235 0.1308
Echinococcus granulosus microtubule associated protein 2 0.0692 0.3754 0.6729
Onchocerca volvulus 0.015 0.074 0.117
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0241 0.0902
Loa Loa (eye worm) hypothetical protein 0.015 0.074 0.1322
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0219 0.0388
Onchocerca volvulus 0.0057 0.0219 0.0219
Mycobacterium tuberculosis Probable lipase LipE 0.015 0.074 0.1411
Toxoplasma gondii histone lysine methyltransferase SET1 0.0109 0.0509 0.6884
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0175 0.0313
Schistosoma mansoni jumonji domain containing protein 0.0091 0.041 0.0735
Echinococcus granulosus mitogen activated protein kinase 3 0.0061 0.0241 0.0432
Brugia malayi intermediate filament protein 0.0057 0.0219 0.0392
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0335 0.1255
Schistosoma mansoni loxhd1 0.0042 0.0139 0.0249
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.074 0.1326
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0181 0.0181
Mycobacterium tuberculosis Probable lipase LipD 0.015 0.074 0.1411
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0201 0.036
Echinococcus granulosus geminin 0.0542 0.2921 0.5236
Schistosoma mansoni cpg binding protein 0.0059 0.0234 0.042
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0235 0.0422
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0161 0.0801 0.4451
Echinococcus multilocularis ubiquitin specific protease 41 0.0078 0.0335 0.0335
Schistosoma mansoni hypothetical protein 0.0042 0.0139 0.0249
Echinococcus multilocularis CD36 class B scavenger receptor 0.1019 0.5579 0.5579
Loa Loa (eye worm) hypothetical protein 0.0385 0.2047 0.3667
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0259 0.0464
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0065 0.0882
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0114 0.0541 0.097
Mycobacterium tuberculosis Conserved protein 0.015 0.074 0.1411
Brugia malayi jmjC domain containing protein 0.0114 0.0541 0.097
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0138 0.0518
Giardia lamblia Kinase, CMGC MAPK 0.0061 0.0241 0.4488
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0537 0.2988
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0078 0.0335 0.1865
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Echinococcus multilocularis Smad4 0.0018 0.0002 0.0002
Echinococcus multilocularis mitogen activated protein kinase 0.0061 0.0241 0.0241
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0959 0.5244 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0537 0.0963
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.136 0.2438
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0138 0.0518
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0119 0.0567 0.1017
Loa Loa (eye worm) hypothetical protein 0.015 0.074 0.1322
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0181 0.245
Echinococcus granulosus ubiquitin specific protease 41 0.0078 0.0335 0.0601
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0241 0.0432
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0241 0.0902
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0159 0.0286
Loa Loa (eye worm) fli-1 protein 0.0253 0.1312 0.2347
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0061 0.0241 0.1341
Brugia malayi latrophilin 2 splice variant baaae 0.0257 0.1337 0.2397
Brugia malayi Muscleblind-like protein 0.0148 0.073 0.1309
Schistosoma mansoni hypothetical protein 0.0401 0.2137 0.383
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.0537 0.1023
Echinococcus multilocularis peregrin 0.0035 0.0098 0.0098
Echinococcus granulosus peregrin 0.0035 0.0098 0.0177
Brugia malayi hypothetical protein 0.019 0.0963 0.1727
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.0801 0.4451
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.1019 0.5579 1
Loa Loa (eye worm) hypothetical protein 0.1019 0.5579 1
Trypanosoma brucei hypothetical protein, conserved 0.015 0.074 0.4113
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Mycobacterium ulcerans beta-lactamase 0.015 0.074 0.428
Schistosoma mansoni gabp alpha 0.0083 0.0368 0.0659
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0159 0.0286
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0028 0.0058 0.0104
Loa Loa (eye worm) hypothetical protein 0.0042 0.0139 0.0245
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.0138 0.0801
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0138 0.1872
Leishmania major hypothetical protein, conserved 0.015 0.074 0.4113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0437 0.2338 0.4189
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.015 0.074 0.1411
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.1019 0.5579 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0159 0.0286
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.0537 0.1023
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0219 0.0819
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0078 0.0335 0.0601
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0061 0.0241 0.1341
Echinococcus granulosus dnaJ subfamily B 0.0401 0.2137 0.383
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0217 0.0384
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0537 0.201
Trichomonas vaginalis penicillin-binding protein, putative 0.015 0.074 0.2767
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.0537 0.1023

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Central nervous system depression activity in mouse assessed as fast respiration at 50 mg/kg, ip after 40 mins ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as induction of passivity at 50 mg/kg, ip after 60 mins ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as staggering gait at 25 mg/kg, ip after 30 mins ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as decrease in touch response at 25 mg/kg, ip ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as tremors on movement at 50 mg/kg, ip after 60 mins ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as decrease in locomotor activity at 50 mg/kg, ip ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as abduction of limbs at 50 mg/kg, ip after 60 mins ChEMBL. 9214727
Activity (functional) Central nervous system depression activity in mouse assessed as decrease in body and limb tone at 50 mg/kg, ip after 60 mins ChEMBL. 9214727
GI50 (functional) -7.818 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.795 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.755 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.751 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.725 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.605 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.569 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.392 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.247 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.006 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.827 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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