Detailed information for compound 1098864

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 524.202 | Formula: C28H46ClN3O2S
  • H donors: 3 H acceptors: 2 LogP: 8.77 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(N1)c1ccc(cc1)NC(=O)CCl
  • InChi: 1S/C28H46ClN3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-27(34)25-22-35-28(32-25)23-16-18-24(19-17-23)31-26(33)21-29/h16-19,25,28,32H,2-15,20-22H2,1H3,(H,30,34)(H,31,33)/t25-,28?/m0/s1
  • InChiKey: STUDAWDNZJRYEX-ALLRNTDFSA-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
Loa Loa (eye worm) hypothetical protein 0.0076 0.0136 0.016
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0157 0.0335 0.0393
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0026 0.0012 0.0254
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0086 0.5797
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0027 0.0015 0.008
Echinococcus granulosus histone lysine methyltransferase setb 0.0038 0.0041 0.0035
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0566 0.1346 1
Leishmania major cathepsin L-like protease 0.0071 0.0124 0.8627
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0027 0.0015 0.046
Echinococcus multilocularis thioredoxin glutathione reductase 0.008 0.0145 0.0132
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0087 0.5923
Plasmodium vivax thioredoxin reductase, putative 0.0079 0.0142 1
Schistosoma mansoni hypothetical protein 0.0041 0.0049 0.005
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0056 0.0087 0.5891
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0179 0.0391 0.2825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.023 0.0517 0.0505
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Schistosoma mansoni glutaminase 0.0556 0.1323 0.1601
Schistosoma mansoni hypothetical protein 0.0028 0.0018 0.0012
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0027 0.0015 0.0009
Giardia lamblia PHD finger protein 15 0.0028 0.0018 0.0384
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Brugia malayi Bromodomain containing protein 0.0159 0.034 0.0408
Schistosoma mansoni jumonji domain containing protein 0.0026 0.0012 0.0005
Trypanosoma cruzi ISWI complex protein 0.003 0.0023 0.1032
Onchocerca volvulus 0.0149 0.0316 0.2248
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0056 0.0087 0.0543
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0566 0.1346 0.1629
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0027 0.0015 0.5
Plasmodium falciparum thioredoxin reductase 0.0027 0.0015 0.0534
Trypanosoma brucei importin beta-1 subunit, putative 0.0056 0.0087 0.588
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0039 0.0045 0.0336
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0128 0.0265 0.0253
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0131 0.0872
Mycobacterium ulcerans carboxylesterase, LipT 0.0566 0.1346 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0131 0.0974
Loa Loa (eye worm) hypothetical protein 0.0038 0.0041 0.0044
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0087 0.0649
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0038 0.0041 0.0028
Entamoeba histolytica hypothetical protein 0.0046 0.0061 0.6661
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0061 0.0451
Schistosoma mansoni zinc finger protein 0.0049 0.0068 0.0073
Loa Loa (eye worm) hypothetical protein 0.0074 0.0131 0.0154
Plasmodium falciparum phd finger protein, putative 0.0028 0.0018 0.0741
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0055 0.0083 0.007
Onchocerca volvulus 0.0566 0.1346 1
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0131 0.9181
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0027 0.0015 0.046
Brugia malayi beta-lactamase family protein 0.0074 0.0131 0.0154
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0015 0.046
Echinococcus multilocularis peregrin 0.0033 0.0029 0.0017
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0056 0.0087 0.0091
Mycobacterium tuberculosis Probable reductase 0.0179 0.0391 0.2825
Loa Loa (eye worm) hypothetical protein 0.0604 0.144 0.1747
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Mycobacterium tuberculosis Carboxylesterase LipT 0.0566 0.1346 1
Brugia malayi F/Y-rich N-terminus family protein 0.0066 0.0111 0.013
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0009 0.0078
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0027 0.0015 0.0534
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.023 0.0517 0.0505
Treponema pallidum exodeoxyribonuclease (exoA) 0.0056 0.0087 1
Trichomonas vaginalis helicase, putative 0.0039 0.0045 0.0336
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0131 0.0872
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0027 0.0015 0.0534
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0131 0.0145
Entamoeba histolytica Ran family GTPase 0.0042 0.005 0.5346
Echinococcus granulosus dnaJ subfamily B 0.1657 0.4043 0.491
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.005 0.0056
Loa Loa (eye worm) carboxylesterase 0.0566 0.1346 0.1632
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0009 0.0078
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0087 0.5891
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0039 0.0045 0.0336
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0131 0.0974
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0027 0.0015 0.0003
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0179 0.0391 0.2825
Loa Loa (eye worm) hypothetical protein 0.0066 0.011 0.0128
Schistosoma mansoni phosphatidylserine receptor 0.0026 0.0012 0.0005
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0027 0.0015 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Echinococcus granulosus carboxylesterase 5A 0.3347 0.8221 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0131 0.0974
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0124 0.0112
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Loa Loa (eye worm) hypothetical protein 0.3347 0.8221 1
Schistosoma mansoni hypothetical protein 0.1028 0.2488 0.3019
Schistosoma mansoni jumonji/arid domain-containing protein 0.0112 0.0224 0.0263
Toxoplasma gondii thioredoxin reductase 0.0079 0.0142 0.1737
Echinococcus multilocularis neuroligin 0.0566 0.1346 0.1335
Leishmania major importin beta-1 subunit, putative 0.0046 0.0061 0.3898
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0041 0.004
Leishmania major cathepsin L-like protease 0.0071 0.0124 0.8627
Trypanosoma brucei ISWI complex protein 0.003 0.0023 0.1032
Onchocerca volvulus 0.0074 0.0131 0.0853
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0131 0.0974
Loa Loa (eye worm) carboxylesterase 0.3347 0.8221 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0018 0.0116
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0199 0.044 1
Schistosoma mansoni ran 0.0042 0.005 0.0052
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0131 0.0872
Loa Loa (eye worm) glutathione reductase 0.0079 0.0142 0.0167
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0049 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0131 0.0872
Schistosoma mansoni protein phosphatase 2C 0.0026 0.0012 0.0005
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0056 0.0087 0.5891
Echinococcus granulosus importin subunit beta 1 0.0056 0.0087 0.0091
Trypanosoma cruzi trypanothione reductase, putative 0.0027 0.0015 0.046
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0027 0.0015 0.046
Echinococcus multilocularis BC026374 protein (S09 family) 0.0566 0.1346 0.1335
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0056 0.0087 1
Onchocerca volvulus 0.0566 0.1346 1
Trichomonas vaginalis glutaminase, putative 0.0556 0.1323 0.9833
Schistosoma mansoni cpg binding protein 0.0188 0.0412 0.0492
Echinococcus granulosus neuroligin 0.0566 0.1346 0.1624
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.3347 0.8221 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.005 0.0541
Trichomonas vaginalis importin beta-1, putative 0.0046 0.0061 0.0451
Schistosoma mansoni mixed-lineage leukemia protein mll 0.037 0.0861 0.1039
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.005 0.3167
Brugia malayi jmjC domain containing protein 0.0112 0.0224 0.0267
Mycobacterium ulcerans beta-lactamase 0.0074 0.0131 0.0872
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0566 0.1346 0.1629
Brugia malayi Carboxylesterase family protein 0.0566 0.1346 0.1632
Brugia malayi PHD-finger family protein 0.0059 0.0094 0.0109
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0179 0.0391 0.2825
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0031 0.0023
Plasmodium falciparum thioredoxin reductase 0.0079 0.0142 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0179 0.0391 0.8401
Schistosoma mansoni phd/f-box containing protein 0.0026 0.0012 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0128 0.0265 0.0307
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0027 0.0015 0.046
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.023 0.0517 0.0623
Leishmania major GTP-binding protein, putative 0.0042 0.005 0.3113
Brugia malayi Importin beta-1 subunit 0.0056 0.0087 0.0101
Brugia malayi jmjC domain containing protein 0.0157 0.0335 0.0402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Trypanosoma brucei trypanothione reductase 0.0079 0.0142 1
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0131 0.9181
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Brugia malayi Carboxylesterase family protein 0.0566 0.1346 0.1632
Loa Loa (eye worm) carboxylesterase 0.0566 0.1346 0.1632
Toxoplasma gondii histone lysine methyltransferase SET1 0.0335 0.0775 1
Plasmodium falciparum glutathione reductase 0.0027 0.0015 0.0534
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0039 0.0045 0.0336
Echinococcus granulosus geminin 0.1028 0.2488 0.3015
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Plasmodium falciparum importin beta, putative 0.0056 0.0087 0.5912
Trichomonas vaginalis mercuric reductase, putative 0.0027 0.0015 0.0111
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0026 0.0012 0.0044
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.023 0.0517 0.062
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Echinococcus multilocularis acetylcholinesterase 0.3347 0.8221 0.8219
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0056 0.0087 0.5891
Schistosoma mansoni acetylcholinesterase 0.0566 0.1346 0.1629
Plasmodium vivax glutathione reductase, putative 0.0079 0.0142 1
Loa Loa (eye worm) hypothetical protein 0.3347 0.8221 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Mycobacterium tuberculosis Probable dehydrogenase 0.0179 0.0391 0.2825
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.004 0.0046 0.0041
Schistosoma mansoni jumonji domain containing protein 0.0137 0.0287 0.034
Echinococcus multilocularis muscleblind protein 0.0604 0.144 0.143
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0039 0.0045 0.0336
Brugia malayi Bromodomain containing protein 0.0033 0.0029 0.003
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0566 0.1346 0.1629
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0566 0.1346 0.1624
Leishmania major hypothetical protein, conserved 0.0026 0.0012 0.0254
Loa Loa (eye worm) hypothetical protein 0.0604 0.144 0.1747
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0087 0.0649
Toxoplasma gondii NADPH-glutathione reductase 0.0027 0.0015 0.008
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0012 0.0009
Brugia malayi PHD-finger family protein 0.0028 0.0018 0.0016
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0045 0.004
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0124 0.8627
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0025 0.0009 0.0002
Brugia malayi exodeoxyribonuclease III family protein 0.0056 0.0087 0.0101
Schistosoma mansoni zinc finger protein 0.003 0.0023 0.0018
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0054 0.0081 0.0084
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0043 0.0055 0.0042
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0131 0.0872
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0039 0.0045 0.0336
Mycobacterium ulcerans lipase LipD 0.0074 0.0131 0.0872
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0055 0.0083 0.0091
Loa Loa (eye worm) CXXC zinc finger family protein 0.0174 0.0378 0.0455
Loa Loa (eye worm) glutaminase 2 0.0556 0.1323 0.1605
Plasmodium falciparum JmjC domain-containing protein, putative 0.0026 0.0012 0.033
Onchocerca volvulus 0.0566 0.1346 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Loa Loa (eye worm) thioredoxin reductase 0.0079 0.0142 0.0167
Toxoplasma gondii ABC1 family protein 0.0074 0.0131 0.1595
Brugia malayi jmjC domain containing protein 0.0026 0.0012 0.0009
Loa Loa (eye worm) histone methyltransferase 0.0054 0.0081 0.0093
Schistosoma mansoni hypothetical protein 0.0602 0.1437 0.174
Mycobacterium tuberculosis Conserved protein 0.0074 0.0131 0.0872
Trypanosoma cruzi importin beta-1 subunit, putative 0.0046 0.0061 0.3898
Trypanosoma brucei importin beta-1 subunit, putative 0.0056 0.0087 0.588
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0131 0.0154
Echinococcus multilocularis para nitrobenzyl esterase 0.0566 0.1346 0.1335
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0157 0.0335 0.0323
Toxoplasma gondii exonuclease III APE 0.0056 0.0087 0.1023
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.004 0.0046 0.0034
Leishmania major trypanothione reductase 0.0079 0.0142 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.005 0.0046
Echinococcus granulosus thioredoxin glutathione reductase 0.008 0.0145 0.0161
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0131 0.9181
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0039 0.0045 0.0336
Schistosoma mansoni cpg binding protein 0.0174 0.0378 0.0451
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0034 0.0036
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0056 0.0087 0.0075
Schistosoma mansoni hypothetical protein 0.1028 0.2488 0.3019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Brugia malayi hypothetical protein 0.0025 0.0009 0.0005
Echinococcus multilocularis importin subunit beta 1 0.0056 0.0087 0.0075
Echinococcus granulosus acetylcholinesterase 0.3347 0.8221 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Brugia malayi hypothetical protein 0.0149 0.0316 0.0379
Schistosoma mansoni hypothetical protein 0.003 0.0023 0.0018
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0056 0.0087 0.0543
Echinococcus multilocularis geminin 0.1028 0.2488 0.2478
Mycobacterium tuberculosis Conserved protein 0.0074 0.0131 0.0872
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0026 0.0012 0.0005
Onchocerca volvulus 0.0566 0.1346 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0147 0.0174
Onchocerca volvulus 0.0174 0.0378 0.2716
Loa Loa (eye worm) hypothetical protein 0.014 0.0294 0.0352
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0018 0.0116
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.005 0.0056
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0124 0.8627
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0056 0.0087 0.5891
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.005 0.0038
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0031 0.0028
Brugia malayi RNA, U transporter 1 0.016 0.0344 0.0414
Mycobacterium tuberculosis Probable oxidoreductase 0.0199 0.044 0.3197
Schistosoma mansoni cpg binding protein 0.0188 0.0412 0.0492
Echinococcus granulosus zinc finger protein 0.0049 0.0068 0.0068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0131 0.015
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0131 0.0872
Loa Loa (eye worm) acetylcholinesterase 1 0.3347 0.8221 1
Echinococcus multilocularis snurportin 1 0.0602 0.1437 0.1426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0131 0.015
Loa Loa (eye worm) glutaminase 0.0556 0.1323 0.1605
Onchocerca volvulus 0.0074 0.0131 0.0853
Brugia malayi jmjC domain containing protein 0.0026 0.0012 0.0009
Loa Loa (eye worm) hypothetical protein 0.0056 0.0087 0.0101
Echinococcus granulosus muscleblind protein 0.0604 0.144 0.1739
Onchocerca volvulus 0.0074 0.0131 0.0853
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0124 0.0136
Echinococcus granulosus BC026374 protein S09 family 0.0566 0.1346 0.1624
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0079 0.0142 0.0954
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0131 0.9181
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0056 0.0087 0.0101
Echinococcus multilocularis acetylcholinesterase 0.3347 0.8221 0.8219
Mycobacterium ulcerans glutaminase 0.0556 0.1323 0.9831
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0012 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0039 0.0045 0.0336
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0131 0.0872
Schistosoma mansoni hypothetical protein 0.1657 0.4043 0.4913
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0041 0.004
Loa Loa (eye worm) hypothetical protein 0.0074 0.0131 0.0154
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0026 0.0012 0.0044
Schistosoma mansoni ran 0.0042 0.005 0.0052
Loa Loa (eye worm) hypothetical protein 0.0074 0.0131 0.0154
Loa Loa (eye worm) hypothetical protein 0.0074 0.0131 0.0154
Brugia malayi beta-lactamase 0.0074 0.0131 0.0154
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0131 0.0872
Brugia malayi Carboxylesterase family protein 0.3347 0.8221 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0181 0.0215
Trypanosoma cruzi ISWI complex protein 0.003 0.0023 0.1032
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0131 0.0872
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Mycobacterium ulcerans hypothetical protein 0.0074 0.0131 0.0872
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0566 0.1346 0.1335
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0199 0.044 0.3197
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0012 0.0009
Trichomonas vaginalis glutathione reductase, putative 0.0027 0.0015 0.0111
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.005 0.3113
Brugia malayi MH2 domain containing protein 0.0235 0.0529 0.0638
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0018 0.0006
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0056 0.0087 1
Brugia malayi CXXC zinc finger family protein 0.0174 0.0378 0.0455
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0092 0.0107
Schistosoma mansoni neuroligin 3 (S09 family) 0.0566 0.1346 0.1629
Loa Loa (eye worm) jmjC domain-containing protein 0.0112 0.0224 0.0267
Onchocerca volvulus 0.0566 0.1346 1
Schistosoma mansoni bromodomain containing protein 0.0135 0.0282 0.0334
Echinococcus multilocularis lysine specific demethylase 5A 0.0098 0.019 0.0178
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0045 0.0033
Echinococcus granulosus snurportin 1 0.0602 0.1437 0.1735
Loa Loa (eye worm) hypothetical protein 0.0028 0.0018 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.0529 0.0638
Schistosoma mansoni gliotactin 0.0566 0.1346 0.1629
Echinococcus granulosus mixed lineage leukemia protein mll 0.0043 0.0055 0.0052
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.0529 0.0638
Schistosoma mansoni jumonji/arid domain-containing protein 0.0112 0.0224 0.0263
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0042 0.005 0.4885
Echinococcus granulosus para nitrobenzyl esterase 0.0566 0.1346 0.1624
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0031 0.0019
Loa Loa (eye worm) hypothetical protein 0.0025 0.0009 0.0005
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.005 0.3113
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0602 0.1437 0.1743
Loa Loa (eye worm) hypothetical protein 0.0026 0.0012 0.0009
Echinococcus granulosus lysine specific demethylase 5A 0.0112 0.0224 0.0258
Echinococcus granulosus peregrin 0.0033 0.0029 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0054 0.0081 0.0069
Brugia malayi Carboxylesterase family protein 0.0566 0.1346 0.1632
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0027 0.0015 0.046
Brugia malayi Carboxylesterase family protein 0.0566 0.1346 0.1632
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0061 0.0451
Echinococcus granulosus cpg binding protein 0.0188 0.0412 0.0487
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.023 0.0517 0.062
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0053 0.0078 0.0085
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0027 0.0015 0.046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.023 0.0517 0.0615
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0039 0.0045 0.0336
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0056 0.0087 1
Echinococcus multilocularis carboxylesterase 5A 0.3347 0.8221 0.8219
Leishmania major cathepsin L-like protease 0.0071 0.0124 0.8627
Toxoplasma gondii HEAT repeat-containing protein 0.0056 0.0087 0.1021
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0199 0.044 0.3197
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0045 0.0336
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0027 0.0015 0.046
Schistosoma mansoni importin beta-1 0.0056 0.0087 0.0097
Plasmodium falciparum glutathione reductase 0.0079 0.0142 1
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Plasmodium vivax importin-beta 2, putative 0.0056 0.0087 0.588
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.023 0.0517 0.0623
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0179 0.0391 0.2825
Leishmania major hypothetical protein, conserved 0.003 0.0023 0.1032
Mycobacterium tuberculosis Conserved protein 0.0074 0.0131 0.0872
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0474 0.112 0.8301
Brugia malayi glutathione reductase 0.0079 0.0142 0.0167
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0026 0.0012 0.0254
Loa Loa (eye worm) beta-lactamase 0.0074 0.0131 0.0154
Leishmania major hypothetical protein, conserved 0.0074 0.0131 0.9181
Brugia malayi hypothetical protein 0.0566 0.1346 0.1632
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0031 0.0028
Echinococcus granulosus fetal alzheimer antigen falz 0.0055 0.0083 0.0086
Plasmodium vivax JmjC domain containing protein 0.0026 0.0012 0.0254
Trichomonas vaginalis ran, putative 0.0042 0.005 0.0374
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0131 0.0119
Trypanosoma cruzi trypanothione reductase, putative 0.0079 0.0142 1
Echinococcus multilocularis dnaJ subfamily B 0.1657 0.4043 0.4036
Brugia malayi beta-lactamase family protein 0.0074 0.0131 0.0154
Echinococcus multilocularis cpg binding protein 0.0188 0.0412 0.0401
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0027 0.0015 0.0013
Schistosoma mansoni ap endonuclease 0.0056 0.0087 0.0097
Brugia malayi Thioredoxin reductase 0.0079 0.0142 0.0167
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0027 0.0015 0.046
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.005 0.3113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.023 0.0517 0.062
Loa Loa (eye worm) hypothetical protein 0.0074 0.0131 0.0154
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0124 0.8627
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0026 0.0012 0.0254
Brugia malayi jmjC domain containing protein 0.0026 0.0012 0.0009
Echinococcus granulosus acetylcholinesterase 0.3347 0.8221 1
Brugia malayi Muscleblind-like protein 0.0604 0.144 0.1747
Loa Loa (eye worm) hypothetical protein 0.0566 0.1346 0.1632
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0043 0.0055 0.0052
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.005 0.3113
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0131 0.0974
Brugia malayi Bromodomain containing protein 0.0076 0.0135 0.0159
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0566 0.1346 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0018 0.0669
Trichomonas vaginalis esterase, putative 0.0074 0.0131 0.0974
Brugia malayi jmjC domain containing protein 0.0026 0.0012 0.0009
Schistosoma mansoni ap endonuclease 0.0056 0.0087 0.0097
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0018 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.023 0.0517 0.0615
Brugia malayi Carboxylesterase family protein 0.3347 0.8221 1
Brugia malayi glutaminase DH11.1 0.0556 0.1323 0.1605
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0131 0.0154
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0124 0.8627
Loa Loa (eye worm) hypothetical protein 0.0026 0.0012 0.0009
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0566 0.1346 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0027 0.0015 0.046
Echinococcus multilocularis muscleblind protein 1 0.0604 0.144 0.143
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0043 0.0055 0.0042
Loa Loa (eye worm) hypothetical protein 0.0074 0.0131 0.0154
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0018 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0124 0.8627
Trichomonas vaginalis spcc417.12 protein, putative 0.0566 0.1346 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0316 0.0379
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0018 0.0016
Echinococcus multilocularis zinc finger protein 0.0049 0.0068 0.0056
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0027 0.0015 0.046
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0108 0.748
Schistosoma mansoni BC026374 protein (S09 family) 0.0566 0.1346 0.1629

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.4 uM Antiproliferative activity against human PPC1 cells after 96 hrs by SRB assay ChEMBL. 20056548
IC50 (functional) = 0.7 uM Antiproliferative activity against human DU145 cells after 96 hrs by SRB assay ChEMBL. 20056548
IC50 (functional) = 0.9 uM Antiproliferative activity against human PC3 cells after 96 hrs by SRB assay ChEMBL. 20056548
IC50 (functional) = 2 uM Antiproliferative activity against human LNCAP cells after 96 hrs by SRB assay ChEMBL. 20056548
IC50 (functional) = 20.4 uM Antiproliferative activity against human A375 cells after 48 hrs by SRB assay ChEMBL. 20056548

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20056548

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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