Detailed information for compound 1045576

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.975 | Formula: C25H28ClN5O2
  • H donors: 1 H acceptors: 5 LogP: 4.34 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)CN(C(=O)c1cnccn1)CCCNc1ccnc2c1ccc(c2)Cl
  • InChi: 1S/C25H28ClN5O2/c26-19-7-8-20-21(9-11-29-22(20)15-19)28-10-4-14-31(25(33)23-16-27-12-13-30-23)17-24(32)18-5-2-1-3-6-18/h7-9,11-13,15-16,18H,1-6,10,14,17H2,(H,28,29)
  • InChiKey: ZSXDQAFGVWJQSZ-UHFFFAOYSA-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
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.016 0.0293
Schistosoma mansoni lipoxygenase 0.002 0.0027 0.0095
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0027 0.008
Echinococcus multilocularis lysine specific demethylase 6a 0.0068 0.0367 0.0672
Schistosoma mansoni phosphatidylserine receptor 0.0068 0.0367 0.1294
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Echinococcus granulosus thioredoxin glutathione reductase 0.0075 0.0415 0.1225
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0018 0.002
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0361 0.0411
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0279 0.0318
Giardia lamblia PHD finger protein 15 0.0116 0.0706 0.1149
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0084 0.0084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.018 0.116 0.4091
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0136 0.0136
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.043
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0423 0.2876 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0279 0.0916
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0026 0.0066 0.0938
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0361 0.1065
Schistosoma mansoni lamin 0.0027 0.0077 0.0271
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0187 0.1211 0.0741
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0068 0.0367 0.0672
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0026 0.0066 0.0571
Brugia malayi PHD-finger family protein 0.0038 0.0153 0.0175
Loa Loa (eye worm) PHD-finger family protein 0.0116 0.0706 0.0805
Brugia malayi jmjC domain containing protein 0.0068 0.0367 0.0418
Echinococcus granulosus dna polymerase eta 0.0019 0.0018 0.0052
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0279 0.6844
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0018 0.0018
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.018 0.116 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1018 0.1865
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Leishmania major cathepsin L-like protease 0.0062 0.0323 0.7928
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0361 0.0411
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0072 0.0082
Onchocerca volvulus 0.0031 0.0106 0.0106
Loa Loa (eye worm) glutaminase 0.0266 0.1764 0.2011
Trypanosoma cruzi cytochrome P450, putative 0.00221247 1 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0027 0.0049
Mycobacterium tuberculosis Probable oxidoreductase 0.0187 0.1211 0.4176
Onchocerca volvulus 0.0049 0.0228 0.0228
Schistosoma mansoni lipoxygenase 0.0056 0.0283 0.0998
Trypanosoma cruzi cytochrome P450, putative 0.00221247 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0136 0.3341
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.0401 0.0734
Loa Loa (eye worm) fli-1 protein 0.0221 0.145 0.1653
Echinococcus multilocularis chromobox protein 1 0.0071 0.0387 0.0709
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0018 0.0052
Loa Loa (eye worm) jmjC domain-containing protein 0.0255 0.1692 0.1929
Onchocerca volvulus 0.002 0.0027 0.0027
Toxoplasma gondii NADPH-glutathione reductase 0.0026 0.0066 0.0571
Giardia lamblia NADH oxidase lateral transfer candidate 0.0026 0.0066 0.0081
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0187 0.1211 0.4176
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.043
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0077 0.0088
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0136 0.0136
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0136 0.3341
Loa Loa (eye worm) hypothetical protein 0.0116 0.0706 0.0805
Echinococcus granulosus RUN 0.002 0.0027 0.008
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.1496 0.1706
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0169 0.1078 0.3711
Plasmodium falciparum phd finger protein, putative 0.0116 0.0706 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0136 0.3341
Loa Loa (eye worm) hypothetical protein 0.004 0.0166 0.019
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0027 0.008
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0066 0.0121
Onchocerca volvulus Alhambra homolog 0.0116 0.0706 0.0706
Schistosoma mansoni hypothetical protein 0.0049 0.0228 0.0806
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Loa Loa (eye worm) hypothetical protein 0.002 0.0027 0.0031
Plasmodium falciparum JmjC domain-containing protein, putative 0.0068 0.0367 0.5196
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.1569 0.4632
Loa Loa (eye worm) hypothetical protein 0.0038 0.0153 0.0175
Brugia malayi jmjC domain containing protein 0.0255 0.1692 0.1929
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0199 0.0365
Echinococcus multilocularis PHD finger protein rhinoceros 0.0116 0.0706 0.1293
Leishmania major cytochrome p450-like protein 0.0026 0.0072 0.1767
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0026 0.0066 0.0571
Plasmodium vivax thioredoxin reductase, putative 0.0074 0.0408 0.3519
Brugia malayi Bromodomain containing protein 0.0116 0.0706 0.0805
Echinococcus granulosus JmjC domain containing protein 4 0.0068 0.0367 0.1083
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0317 0.2736
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0136 0.0136
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Schistosoma mansoni alpha-glucosidase 0.0138 0.086 0.3035
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0018 0.0029
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0068 0.0367 0.1083
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0136 0.0136
Echinococcus multilocularis lamin dm0 0.0027 0.0077 0.0141
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0021
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0361 0.8837
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0361 0.1272
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0174 0.1113 0.3285
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0026 0.0066 0.1622
Schistosoma mansoni hypothetical protein 0.0116 0.0706 0.249
Leishmania major trypanothione reductase 0.0074 0.0408 1
Echinococcus multilocularis peregrin 0.0116 0.0706 0.1293
Schistosoma mansoni intermediate filament proteins 0.0027 0.0077 0.0271
Echinococcus multilocularis phd:f box containing protein 0.0068 0.0367 0.0672
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0068 0.0367 0.8943
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0136 0.0136
Echinococcus granulosus dna polymerase kappa 0.0019 0.0018 0.0052
Brugia malayi jmjC domain containing protein 0.0068 0.0367 0.0418
Schistosoma mansoni jumonji domain containing protein 0.0417 0.2834 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0199 0.0703
Brugia malayi glutaminase DH11.1 0.0266 0.1764 0.2011
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0865 0.6008 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0068 0.0367 0.3163
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0317 0.1119
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1018 0.1865
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0323 0.7928
Brugia malayi Cytochrome P450 family protein 0.0026 0.0072 0.0082
Echinococcus multilocularis dna polymerase eta 0.0019 0.0018 0.0032
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0072 0.1397
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0865 0.6008 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0187 0.1211 0.4176
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0317 0.1048
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1018 0.3006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0199 0.0589
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0317 0.1048
Echinococcus granulosus jumonji domain containing 1A 0.0068 0.0367 0.1083
Loa Loa (eye worm) hypothetical protein 0.0062 0.0326 0.0371
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0018 0.0062
Echinococcus granulosus lamin dm0 0.0027 0.0077 0.0227
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0361 0.066
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Echinococcus granulosus PHD finger protein rhinoceros 0.0116 0.0706 0.2084
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0018 0.0032
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0026 0.0066 0.017
Loa Loa (eye worm) hypothetical protein 0.0068 0.0367 0.0418
Leishmania major cathepsin L-like protease 0.0062 0.0323 0.7928
Brugia malayi Pre-SET motif family protein 0.1256 0.8772 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0169 0.1078 0.3711
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Schistosoma mansoni hypothetical protein 0.002 0.0027 0.0095
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0361 0.8837
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0045 0.02 0.0706
Trypanosoma cruzi trypanothione reductase, putative 0.0074 0.0408 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0166 0.0166
Loa Loa (eye worm) jmjC domain-containing protein 0.024 0.158 0.1801
Echinococcus granulosus lysine specific demethylase 5A 0.0255 0.1692 0.4995
Schistosoma mansoni chromobox protein 0.0071 0.0387 0.1365
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0084 0.0084
Loa Loa (eye worm) CYP4Cod1 0.00221247 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.08 0.0912
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.08 0.0912
Plasmodium vivax SET domain protein, putative 0.018 0.116 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0136 0.0136
Plasmodium vivax hypothetical protein, conserved 0.0116 0.0706 0.6087
Schistosoma mansoni chromobox protein 0.0071 0.0387 0.1365
Echinococcus multilocularis lamin 0.0027 0.0077 0.0141
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0387 0.0441
Brugia malayi Heterochromatin protein 1 0.0071 0.0387 0.0441
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0066 0.5
Trichomonas vaginalis glutaminase, putative 0.0266 0.1764 0.1764
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0066 0.0195
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0136 0.0136
Loa Loa (eye worm) thioredoxin reductase 0.0074 0.0408 0.0465
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0361 0.8837
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0026 0.0066 0.017
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0367 0.0418
Leishmania major DNA polymerase eta, putative 0.0019 0.0018 0.043
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1018 0.1161
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0026 0.0066 0.1245
Brugia malayi Doublecortin family protein 0.002 0.0027 0.0031
Mycobacterium tuberculosis Probable dehydrogenase 0.0169 0.1078 0.3711
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0199 0.0227
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0136 0.0227
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0026 0.0066 0.0571
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.043
Schistosoma mansoni glutaminase 0.0266 0.1764 0.6225
Leishmania major cathepsin L-like protease 0.0062 0.0323 0.7928
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0136 0.0136
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Brugia malayi Ets-domain containing protein 0.0073 0.0401 0.0457
Echinococcus multilocularis lysine specific demethylase 5A 0.0255 0.1692 0.3099
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Echinococcus granulosus intermediate filament protein 0.0027 0.0077 0.0227
Echinococcus granulosus phd:f box containing protein 0.0068 0.0367 0.1083
Brugia malayi Thioredoxin reductase 0.0074 0.0408 0.0465
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0066 0.1245
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0323 0.7928
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0077 0.0088
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0038 0.0153 0.3473
Echinococcus granulosus lysine specific demethylase 6a 0.0068 0.0367 0.1083
Schistosoma mansoni DNA polymerase eta 0.0019 0.0018 0.0062
Loa Loa (eye worm) doublecortin family protein 0.002 0.0027 0.0031
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0072 0.0082
Schistosoma mansoni hypothetical protein 0.0038 0.0153 0.054
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.0401 0.0457
Trichomonas vaginalis set domain proteins, putative 0.1429 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0285 0.6995
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0136 0.0403
Toxoplasma gondii PHD-finger domain-containing protein 0.0038 0.0153 0.1321
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0066 0.1622
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0495 0.3387 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0255 0.1692 0.5969
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0068 0.0367 0.1294
Brugia malayi Ets-domain containing protein 0.0073 0.0401 0.0457
Loa Loa (eye worm) glutathione reductase 0.0074 0.0408 0.0465
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0317 0.7775
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0423 0.2876 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0018 0.002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Echinococcus granulosus transcription factor Dp 1 0.0039 0.016 0.0473
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0253 0.0288
Onchocerca volvulus 0.0027 0.0077 0.0077
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0072 0.1767
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0279 0.0825
Schistosoma mansoni jumonji domain containing protein 0.0068 0.0367 0.1294
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0192 0.1242 0.4381
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0169 0.1078 0.3711
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0027 0.008
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0027 0.0233
Brugia malayi jmjC domain containing protein 0.0495 0.3387 0.3861
Brugia malayi chromobox protein homolog 3 0.004 0.0166 0.019
Loa Loa (eye worm) cytochrome P450 family protein 0.00221247 1 1
Brugia malayi MH2 domain containing protein 0.0129 0.08 0.0912
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Schistosoma mansoni polycystin 1-related 0.002 0.0027 0.0095
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0019 0.0018 0.0021
Brugia malayi hypothetical protein 0.002 0.0027 0.0031
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1256 0.8772 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.018 0.116 0.4091
Brugia malayi F/Y-rich N-terminus family protein 0.0045 0.02 0.0228
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0283 0.0518
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0116 0.0706 0.249
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0074 0.0408 0.1366
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0423 0.2876 1
Brugia malayi intermediate filament protein 0.0027 0.0077 0.0088
Echinococcus granulosus chromobox protein 1 0.0071 0.0387 0.1143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0317 0.1048
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0367 0.0418
Echinococcus granulosus jumonji domain containing protein 0.0161 0.1027 0.3033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Brugia malayi hypothetical protein 0.0238 0.1569 0.1788
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0066 0.0075
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0026 0.0066 0.1622
Plasmodium falciparum glutathione reductase 0.0026 0.0066 0.0938
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0018 0.0062
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0018 0.0032
Mycobacterium ulcerans glutaminase 0.0266 0.1764 0.611
Loa Loa (eye worm) cytochrome P450 family protein 0.00221247 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0188 0.0188
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0018 0.043
Brugia malayi jmjC domain containing protein 0.0068 0.0367 0.0418
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0136 0.025
Brugia malayi SET domain containing protein 0.0018 0.0014 0.0016
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0136 0.1176
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0199 0.0703
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0066 0.1245
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0279 0.0916
Leishmania major hypothetical protein, conserved 0.0068 0.0367 0.8988
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0068 0.0367 0.3163
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0066 0.1622
Brugia malayi PHD-finger family protein 0.0116 0.0706 0.0805
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Brugia malayi Cytochrome P450 family protein 0.00221247 1 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0026 0.0066 0.017
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0279 0.0916
Schistosoma mansoni lamin 0.0027 0.0077 0.0271
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Trypanosoma cruzi trypanothione reductase, putative 0.0026 0.0066 0.1622
Schistosoma mansoni phd/f-box containing protein 0.0068 0.0367 0.1294
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0323 0.7928
Loa Loa (eye worm) hypothetical protein 0.0027 0.0077 0.0088
Mycobacterium tuberculosis Probable reductase 0.0169 0.1078 0.3711
Schistosoma mansoni ets-related 0.0221 0.145 0.5117
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0199 0.0227
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0027 0.0049
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0027 0.0382
Onchocerca volvulus 0.0093 0.054 0.054
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1018 0.1161
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0199 0.0365
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0018 0.043
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0153 0.1321
Loa Loa (eye worm) hypothetical protein 0.0031 0.0106 0.012
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0136 0.0155
Treponema pallidum fructose-bisphosphate aldolase 0.0865 0.6008 1
Brugia malayi Fli-1 protein 0.0221 0.145 0.1653
Echinococcus granulosus lamin 0.0027 0.0077 0.0227
Schistosoma mansoni alpha-glucosidase 0.0138 0.086 0.3035
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0387 0.0387
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.018 0.116 0.4091
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0323 0.7928
Brugia malayi Pre-SET motif family protein 0.018 0.116 0.1322
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0279 0.0985
Plasmodium falciparum thioredoxin reductase 0.0074 0.0408 0.5782
Leishmania major DNA polymerase kappa, putative 0.0019 0.0018 0.043
Echinococcus granulosus chromobox protein 1 0.0071 0.0387 0.1143
Trichomonas vaginalis glutathione reductase, putative 0.0026 0.0066 0.0066
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.023 0.5627
Toxoplasma gondii thioredoxin reductase 0.0074 0.0408 0.3519
Plasmodium vivax JmjC domain containing protein 0.0068 0.0367 0.3163
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0038 0.0153 0.3473
Trypanosoma brucei trypanothione reductase 0.0074 0.0408 1
Echinococcus granulosus peregrin 0.0116 0.0706 0.2084
Brugia malayi hypothetical protein 0.002 0.0027 0.0031
Onchocerca volvulus 0.0027 0.0077 0.0077
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0072 0.1767
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0136 0.0155
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0136 0.0136
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0136 0.0227
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0361 0.06
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0027 0.0049
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0317 0.1119
Schistosoma mansoni jumonji/arid domain-containing protein 0.0255 0.1692 0.5969
Loa Loa (eye worm) glutaminase 2 0.0266 0.1764 0.2011
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0317 0.0937
Echinococcus multilocularis RUN 0.002 0.0027 0.0049
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0166 0.0166
Plasmodium falciparum glutathione reductase 0.0074 0.0408 0.5782
Trichomonas vaginalis mercuric reductase, putative 0.0026 0.0066 0.0066
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0026 0.0066 0.017
Echinococcus multilocularis JmjC domain containing protein 4 0.0068 0.0367 0.0672
Leishmania major cytochrome p450-like protein 0.00221247 1 0.5
Schistosoma mansoni survival motor neuron protein 0.0049 0.0228 0.0806
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.018 0.116 0.2124
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.002
Brugia malayi AF-10 protein 0.0038 0.0153 0.0175
Toxoplasma gondii PHD-finger domain-containing protein 0.0116 0.0706 0.6087
Schistosoma mansoni rab6-interacting 0.002 0.0027 0.0095
Loa Loa (eye worm) hypothetical protein 0.023 0.1509 0.172
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0019 0.0018 0.0021
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0788 0.546 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0361 0.8785
Echinococcus multilocularis musashi 0.0027 0.0077 0.0141
Loa Loa (eye worm) hypothetical protein 0.0027 0.0073 0.0084
Brugia malayi glutathione reductase 0.0074 0.0408 0.0465
Schistosoma mansoni rab6-interacting 0.002 0.0027 0.0095
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.018 0.116 0.2124
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0169 0.1078 0.3711
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0068 0.0367 0.8988
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0038 0.0153 0.217
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0283 0.0835
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0495 0.3387 0.6203
Giardia lamblia Fructose-bisphosphate aldolase 0.0865 0.6008 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0068 0.0367 0.8988
Brugia malayi follicle stimulating hormone receptor 0.0228 0.1496 0.1706
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0317 0.1048
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0865 0.6008 0.6008
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0018 0.002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0228 0.026
Brugia malayi Cytochrome P450 family protein 0.0026 0.0072 0.0082
Trypanosoma brucei cytochrome P450, putative 0.00221247 1 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.116 0.1322
Trypanosoma brucei glucosidase, putative 0.0036 0.0136 0.3041
Echinococcus multilocularis jumonji domain containing 1A 0.0068 0.0367 0.0672
Echinococcus multilocularis chromobox protein 1 0.0071 0.0387 0.0709
Schistosoma mansoni loxhd1 0.002 0.0027 0.0095
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0188 0.0188
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0018 0.0018
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0066 0.5
Schistosoma mansoni gabp alpha 0.0073 0.0401 0.1413
Schistosoma mansoni protein phosphatase 2C 0.0068 0.0367 0.1294
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0317 0.0581
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0367 0.0418
Loa Loa (eye worm) hypothetical protein 0.0068 0.0367 0.0418
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0038 0.0153 0.1321
Loa Loa (eye worm) hypothetical protein 0.002 0.0027 0.0031
Echinococcus granulosus histone lysine methyltransferase setb 0.018 0.116 0.3424
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0279 0.0512
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0026 0.0066 0.1245
Echinococcus multilocularis jumonji domain containing protein 0.0161 0.1027 0.1881
Toxoplasma gondii PHD-finger domain-containing protein 0.0116 0.0706 0.6087
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0066 0.1622
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0077 0.0088
Echinococcus multilocularis thioredoxin glutathione reductase 0.0075 0.0415 0.076
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0166 0.0166
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0026 0.0066 0.0938
Brugia malayi Cytochrome P450 family protein 0.00221247 1 0.5
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0072 0.0082
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.0401 0.1183
Onchocerca volvulus 0.0192 0.1242 0.1242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0199 0.0589
Plasmodium vivax glutathione reductase, putative 0.0074 0.0408 0.3519
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.043
Plasmodium falciparum thioredoxin reductase 0.0026 0.0066 0.0938
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0066 0.0233
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0238 0.1569 0.1788
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0188 0.0188
Onchocerca volvulus 0.002 0.0027 0.0027
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.00221247 1 0.5
Brugia malayi jmjC domain containing protein 0.0068 0.0367 0.0418
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0323 0.7834
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.1569 0.2873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0199 0.0703
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0066 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0072 0.0191
Schistosoma mansoni alpha glucosidase 0.0036 0.0136 0.0481

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.242 uM Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D10 ChEMBL. 19361896
IC50 (functional) = 0.877 uM Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 ChEMBL. 19361896

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19361896

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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