Detailed information for compound 1033189

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.873 | Formula: C21H23ClN2O
  • H donors: 3 H acceptors: 1 LogP: 4.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNCCNCc1ccc2c3c1ccc1c3c(cc2)ccc1.Cl
  • InChi: 1S/C21H22N2O.ClH/c24-13-12-22-10-11-23-14-18-7-6-17-5-4-15-2-1-3-16-8-9-19(18)21(17)20(15)16;/h1-9,22-24H,10-14H2;1H
  • InChiKey: RGTFATKKDIPEPU-UHFFFAOYSA-N  


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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
Toxoplasma gondii ABC1 family protein 0.0082 0.0099 0.0099
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.4252 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.0119 0.0075
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.0119 0.0123
Loa Loa (eye worm) hypothetical protein 0.0082 0.0099 0.0099
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0034 0.0034
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.0272 0.0272
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.0045 0.0011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0107 0.0157 0.0157
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.0029 0.0029
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.0006 0.0006
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.0006 0.0006
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0116 0.018 1
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0116 0.018 0.0146
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.4252 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.4252 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0062 0.0028
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0119 0.0119
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0116 0.018 0.0146
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0234 0.019
Trypanosoma cruzi chloride channel protein, putative 0.0116 0.018 0.018
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.0201 0.0157
Brugia malayi ancient conserved domain protein 2 0.0116 0.018 0.018
Trypanosoma brucei trypanothione reductase 0.0055 0.0034 0.0034
Echinococcus granulosus microtubule associated protein 2 0.2329 0.5434 0.5434
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0062 0.0062
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0116 0.018 0.018
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0006 0.0006
Leishmania major inosine-5-monophosphate dehydrogenase 0.4252 1 1
Brugia malayi jmjC domain containing protein 0.0053 0.0029 0.0029
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0003 0.0003
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0116 0.018 0.018
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0116 0.018 0.018
Mycobacterium ulcerans hypothetical protein 0.0173 0.0314 0.0254
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0099 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.018 0.018
Loa Loa (eye worm) GMP reductase 0.1827 0.4242 0.4242
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0116 0.018 0.0062
Echinococcus granulosus geminin 0.0197 0.0371 0.0371
Echinococcus granulosus L aminoadipate semialdehyde 0.0096 0.0133 0.0133
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0116 0.018 0.018
Mycobacterium ulcerans hypothetical protein 0.0116 0.018 0.0119
Brugia malayi Thioredoxin reductase 0.0055 0.0034 0.0034
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0082 0.0099 0.0066
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.4252 1 1
Mycobacterium leprae Probable lipase LipE 0.0082 0.0099 0.0055
Loa Loa (eye worm) hypothetical protein 0.008 0.0093 0.0093
Plasmodium falciparum protein MAM3, putative 0.0116 0.018 0.0185
Echinococcus multilocularis JmjC domain containing protein 4 0.0053 0.0029 0.0029
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0051 0.0051
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0006 0.0006
Mycobacterium tuberculosis Probable reductase 0.0125 0.0201 0.0167
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0082 0.0099 0.0099
Onchocerca volvulus 0.0116 0.018 0.0194
Schistosoma mansoni chloride channel protein 0.0116 0.018 0.018
Trypanosoma brucei AMP-activated protein kinase, gamma regulatory subunit 0.0116 0.018 0.018
Echinococcus granulosus phd:f box containing protein 0.0053 0.0029 0.0029
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0043 0.0006 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.0045 0.0011
Mycobacterium leprae conserved hypothetical protein 0.0082 0.0099 0.0055
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0201 0.0167
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.0062 0.0062
Toxoplasma gondii CBS family protein 0.0116 0.018 0.018
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0119 0.0119
Trypanosoma brucei hypothetical protein, conserved 0.0082 0.0099 0.0099
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0116 0.018 0.018
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.4136 0.9724 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0053 0.0029 0.0029
Onchocerca volvulus 0.0096 0.0133 0.0081
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0116 0.018 0.018
Loa Loa (eye worm) IMP dehydrogenase 1 0.4252 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.0119 0.0119
Brugia malayi jmjC domain containing protein 0.0198 0.0373 0.0373
Schistosoma mansoni jumonji domain containing protein 0.0053 0.0029 0.0029
Mycobacterium tuberculosis Probable lipase LipE 0.0082 0.0099 0.0066
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0116 0.018 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0116 0.018 0.0146
Brugia malayi jmjC domain containing protein 0.0198 0.0373 0.0373
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0062 0.0062
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.0119 0.0119
Treponema pallidum hemolysin (tlyC) 0.0116 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0029 0.0029
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0234 0.0201
Leishmania major guanosine monophosphate reductase 0.4252 1 1
Leishmania major hypothetical protein, conserved 0.0053 0.0029 0.0029
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0526 0.1154 0.1124
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.0683 0.0683
Brugia malayi jmjC domain containing protein 0.0053 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0082 0.0099 0.0099
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0116 0.018 0.0062
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.4252 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0234 0.0201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.018 0.018
Plasmodium vivax JmjC domain containing protein 0.0053 0.0029 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0107 0.0157 0.0157
Plasmodium falciparum thioredoxin reductase 0.0055 0.0034 0.0035
Loa Loa (eye worm) chloride channel 3 0.0116 0.018 0.018
Plasmodium falciparum glutathione reductase 0.0055 0.0034 0.0035
Plasmodium falciparum JmjC domain-containing protein, putative 0.0053 0.0029 0.003
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0096 0.0133 0.0133
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0116 0.018 0.0062
Trypanosoma cruzi Domain of unknown function DUF21, putative 0.0116 0.018 0.018
Mycobacterium tuberculosis Conserved protein 0.0116 0.018 0.0146
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0053 0.0029 0.0029
Trypanosoma cruzi chloride channel protein, putative 0.0116 0.018 0.018
Echinococcus multilocularis jumonji domain containing 1A 0.0053 0.0029 0.0029
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0013 0.0013
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.4252 1 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0099 0.0102
Mycobacterium ulcerans hypothetical protein 0.0116 0.018 0.0119
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0116 0.018 0.0146
Trypanosoma cruzi GMP reductase 0.4252 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0119 0.0058
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.0119 0.0119
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0045 0.0045
Echinococcus multilocularis beta LACTamase domain containing family member 0.0082 0.0099 0.0099
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.0006 0.0006
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1943 0.4519 0.4484
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0082 0.0099 0.0099
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0116 0.018 0.018
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.0272 0.0272
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.4136 0.9724 0.9722
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0116 0.018 0.0146
Trypanosoma cruzi chloride channel protein, putative 0.0116 0.018 0.018
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0099 1
Trypanosoma brucei Voltage-gated Chloride channel Like 3 0.0116 0.018 0.018
Schistosoma mansoni chloride channel protein 0.0116 0.018 0.018
Leishmania major hypothetical protein, conserved 0.0082 0.0099 0.0099
Schistosoma mansoni jumonji/arid domain-containing protein 0.0198 0.0373 0.0373
Schistosoma mansoni hypothetical protein 0.0197 0.0371 0.0371
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0099 0.0099
Echinococcus multilocularis lysine specific demethylase 6a 0.0053 0.0029 0.0029
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0328 0.0683 0.0683
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0116 0.018 0.018
Echinococcus multilocularis lysine specific demethylase 5A 0.0198 0.0373 0.0373
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0116 0.018 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0201 0.0167
Echinococcus granulosus lysine specific demethylase 6a 0.0053 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0082 0.0099 0.0099
Giardia lamblia Hypothetical protein 0.0116 0.018 1
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0116 0.018 0.018
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0013 0.0013
Brugia malayi Voltage gated chloride channel family protein 0.0116 0.018 0.018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.018 0.018
Echinococcus granulosus beta LACTamase domain containing family member 0.0082 0.0099 0.0099
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0116 0.018 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0037 0.0037
Mycobacterium ulcerans hypothetical protein 0.0116 0.018 0.0119
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.0062 0.0062
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0201 0.0167
Loa Loa (eye worm) glutathione reductase 0.0055 0.0034 0.0034
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0006 0.0559
Brugia malayi beta-lactamase 0.0082 0.0099 0.0099
Schistosoma mansoni phosphatidylserine receptor 0.0053 0.0029 0.0029
Echinococcus granulosus JmjC domain containing protein 4 0.0053 0.0029 0.0029
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.0006 0.0006
Onchocerca volvulus Putative GMP reductase 0.1827 0.4242 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0119 0.0058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0099 0.0099
Mycobacterium tuberculosis Conserved protein 0.0082 0.0099 0.0066
Brugia malayi jmjC domain containing protein 0.0053 0.0029 0.0029
Brugia malayi CBS domain containing protein 0.0116 0.018 0.018
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0116 0.018 0.0146
Schistosoma mansoni protein phosphatase 2C 0.0053 0.0029 0.0029
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0082 0.0099 0.0038
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0198 0.0373 0.0373
Loa Loa (eye worm) chloride channel protein 7 0.0116 0.018 0.018
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0201 0.0167
Loa Loa (eye worm) hypothetical protein 0.0116 0.018 0.018
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.0314 0.0281
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.1827 0.4242 0.4242
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.4252 1 1
Chlamydia trachomatis CBS domain-containing protein 0.0116 0.018 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0096 0.0133 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0107 0.0157 0.0157
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0053 0.0029 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0099 0.0099
Brugia malayi beta-lactamase family protein 0.0082 0.0099 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.018 0.018
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0107 0.0157 0.0157
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.4252 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0034 0.0034
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0941 0.2138 0.2138
Schistosoma mansoni hypothetical protein 0.0042 0.0003 0.0003
Plasmodium vivax glutathione reductase, putative 0.0055 0.0034 0.0035
Mycobacterium tuberculosis Conserved protein 0.0082 0.0099 0.0066
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0053 0.0029 0.0029
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0006 0.0006
Mycobacterium tuberculosis Conserved protein 0.0082 0.0099 0.0066
Schistosoma mansoni phd/f-box containing protein 0.0053 0.0029 0.0029
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.0029 0.0029
Mycobacterium ulcerans hypothetical protein 0.0082 0.0099 0.0038
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0034 0.0034
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0013 0.0013
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0198 0.0373 0.0373
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0006 0.0006
Echinococcus granulosus jumonji domain containing 1A 0.0053 0.0029 0.0029
Mycobacterium tuberculosis Conserved protein 0.0116 0.018 0.0146
Loa Loa (eye worm) jmjC domain-containing protein 0.0198 0.0373 0.0373
Mycobacterium ulcerans beta-lactamase 0.0082 0.0099 0.0038
Echinococcus granulosus H:Cl exchange transporter 3 0.0116 0.018 0.018
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0116 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0116 0.018 0.018
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0006 0.0006
Loa Loa (eye worm) loechrig isoform VII 0.0116 0.018 0.018
Schistosoma mansoni chloride channel protein 0.0116 0.018 0.018
Brugia malayi latrophilin 2 splice variant baaae 0.008 0.0093 0.0093
Brugia malayi chloride channel protein 7 0.0116 0.018 0.018
Brugia malayi ancient conserved domain protein 4 0.0116 0.018 0.018
Trypanosoma cruzi GMP reductase 0.4252 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0119 0.0123
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0003 0.0003
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0053 0.0029 0.0029
Mycobacterium tuberculosis Probable esterase LipL 0.0082 0.0099 0.0066
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0082 0.0099 0.0066
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0099 1
Chlamydia trachomatis Mg++ transporter 0.0116 0.018 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0107 0.0157 0.0157
Leishmania major chloride channel protein, putative 0.0116 0.018 0.018
Brugia malayi Probable ClpP-like protease 0.0091 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0053 0.0029 0.0029
Entamoeba histolytica hypothetical protein 0.0042 0.0003 0.5029
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0082 0.0099 0.0066
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0201 0.0167
Mycobacterium leprae conserved hypothetical protein 0.0116 0.018 0.0136
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0116 0.018 0.018
Leishmania major hypothetical protein, conserved 0.0116 0.018 0.018
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0053 0.0029 0.0029
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0116 0.018 0.0136
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0099 0.0099
Echinococcus multilocularis microtubule associated protein 2 0.2329 0.5434 0.5434
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0006 0.0559
Echinococcus granulosus lysine specific demethylase 5A 0.0198 0.0373 0.0373
Echinococcus multilocularis geminin 0.0197 0.0371 0.0371
Loa Loa (eye worm) hypothetical protein 0.0116 0.018 0.018
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0116 0.018 0.018
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.4252 1 1
Toxoplasma gondii hypothetical protein 0.0053 0.0029 0.0029
Trypanosoma brucei Voltage-gated Chloride channel Like 1 0.0116 0.018 0.018
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.2308 0.5385 0.5369
Brugia malayi glutathione reductase 0.0055 0.0034 0.0034
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.4136 0.9724 1
Echinococcus granulosus H:Cl exchange transporter 7 0.0116 0.018 0.018
Entamoeba histolytica hypothetical protein 0.0042 0.0003 0.5029
Mycobacterium ulcerans cystathionine beta-synthase 0.0116 0.018 0.0119
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.0029 0.0029
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.2308 0.5385 0.5364
Schistosoma mansoni jumonji domain containing protein 0.0198 0.0373 0.0373
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.0683 0.0683
Echinococcus granulosus H:Cl exchange transporter 4 0.0116 0.018 0.018
Loa Loa (eye worm) beta-lactamase 0.0082 0.0099 0.0099
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0006 0.0559
Entamoeba histolytica hypothetical protein 0.0042 0.0003 0.5029
Trypanosoma brucei GMP reductase 0.4252 1 1
Toxoplasma gondii thioredoxin reductase 0.0055 0.0034 0.0034
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.4252 1 1
Mycobacterium tuberculosis Conserved protein 0.0116 0.018 0.0146
Schistosoma mansoni microtubule-associated protein tau 0.2329 0.5434 0.5434
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0082 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.008 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0053 0.0029 0.0029
Trypanosoma cruzi chloride channel protein, putative 0.0116 0.018 0.018
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0099 1
Leishmania major CBS domain protein, conserved 0.0116 0.018 0.018
Brugia malayi beta-lactamase family protein 0.0082 0.0099 0.0099
Toxoplasma gondii IMP dehydrogenas 0.4252 1 1
Leishmania major mitochondrial DNA polymerase beta 0.0328 0.0683 0.0683
Brugia malayi jmjC domain containing protein 0.0053 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0096 0.0133 0.0133
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0006 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0107 0.0157 0.0157
Echinococcus multilocularis L aminoadipate semialdehyde 0.0096 0.0133 0.0133
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0006 0.0006
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0034 0.0034
Toxoplasma gondii CBS domain-containing protein 0.0116 0.018 0.018
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0116 0.018 0.018
Entamoeba histolytica hypothetical protein 0.0042 0.0003 0.5029
Leishmania major chloride channel protein, putative 0.0116 0.018 0.018
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0003 0.0003
Toxoplasma gondii CBS domain-containing protein 0.0116 0.018 0.018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0107 0.0157 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0099 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0234 0.0201
Mycobacterium tuberculosis Probable hydrolase 0.0082 0.0099 0.0066
Loa Loa (eye worm) hypothetical protein 0.0116 0.018 0.018
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0053 0.0029 0.0029
Schistosoma mansoni jumonji/arid domain-containing protein 0.0198 0.0373 0.0373
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.0006 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0107 0.0157 0.0157
Treponema pallidum Mg2+ transport protein (mgtE) 0.0116 0.018 1
Mycobacterium ulcerans lipase LipD 0.0082 0.0099 0.0038
Brugia malayi CLC chloride channel protein 0.0116 0.018 0.018
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0053 0.0029 0.0029
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0045 0.0045
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.1827 0.4242 0.4242
Leishmania major trypanothione reductase 0.0055 0.0034 0.0034
Brugia malayi loechrig isoform VII 0.0116 0.018 0.018
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.1943 0.4519 0.4494
Mycobacterium ulcerans esterase/lipase LipP 0.0082 0.0099 0.0038
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.0006 0.0006
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0043 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0091 0.0119 0.0119
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.0272 0.0272
Brugia malayi GMP reductase 0.1827 0.4242 0.4242
Mycobacterium ulcerans transcriptional regulator 0.0116 0.018 0.0119
Echinococcus multilocularis phd:f box containing protein 0.0053 0.0029 0.0029
Schistosoma mansoni protein kinase subunit gamma 0.0116 0.018 0.018
Mycobacterium tuberculosis Probable lipase LipD 0.0082 0.0099 0.0066
Loa Loa (eye worm) hypothetical protein 0.0082 0.0099 0.0099
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0034 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0107 0.0157 0.0157
Trichomonas vaginalis esterase, putative 0.0082 0.0099 1
Brugia malayi hypothetical protein 0.0042 0.0003 0.0003
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0116 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0197 0.0371 0.0371
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.4252 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0099 0.0099

Activities

Activity type Activity value Assay description Source Reference
Optimal dose (functional) = 134 mg kg-1 In vivo antitumor activity against murine lymphocytic leukemia P388 measured as optimal dose which is the highest nontoxic dose ChEMBL. 2391683

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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