Detailed information for compound 17219

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 497.255 | Formula: C22H24BrCl2N3O--
  • H donors: 1 H acceptors: 1 LogP: 4.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)C1=Nc2ccccc2CC=C1c1ccc(cc1)Br.[Cl-].[Cl-]
  • InChi: 1S/C22H24BrN3O.2ClH/c23-19-8-5-17(6-9-19)20-10-7-18-3-1-2-4-21(18)24-22(20)26-13-11-25(12-14-26)15-16-27;;/h1-6,8-10,27H,7,11-16H2;2*1H/p-2
  • InChiKey: WQBPUVDOCSYPMT-UHFFFAOYSA-L  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni alpha-glucosidase 0.0148 0.04 0.0369
Loa Loa (eye worm) hypothetical protein 0.0052 0.0086 0.0076
Loa Loa (eye worm) calcium channel 0.012 0.031 0.03
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.012 0.031 0.03
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.0104 0.0094
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3066 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0046 0.0036
Echinococcus multilocularis protein patched 0.1262 0.4067 0.4043
Trypanosoma brucei glucosidase, putative 0.0038 0.004 0.003
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.012 0.031 0.0278
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0088 0.0078
Echinococcus granulosus transient receptor potential cation channel 0.012 0.031 0.0271
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0043 0.0033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0219 0.018
Schistosoma mansoni hypothetical protein 0.0164 0.0454 0.0423
Echinococcus multilocularis potassium large conductance calcium activated 0.012 0.031 0.0271
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus multilocularis two pore calcium channel protein 1 0.012 0.031 0.0271
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3066 1 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.012 0.031 0.0271
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0062 0.174
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus multilocularis hyperpolarization activated cyclic 0.012 0.031 0.0271
Echinococcus granulosus Protein patched homolog 1 0.1262 0.4067 0.4043
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.012 0.031 0.03
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.004 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Loa Loa (eye worm) ryanodine receptor 0.012 0.031 0.03
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.012 0.031 0.03
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3066 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus multilocularis transient receptor potential cation channel 0.012 0.031 0.0271
Echinococcus multilocularis potassium voltage gated channel protein 0.012 0.031 0.0271
Echinococcus granulosus shaker cognate 0.012 0.031 0.0271
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.012 0.031 0.03
Echinococcus granulosus potassium voltage gated channel subfamily H 0.012 0.031 0.0271
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.012 0.031 0.03
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.012 0.031 0.0271
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.012 0.031 0.0271
Trichomonas vaginalis DNA polymerase eta, putative 0.0046 0.0067 0.0058
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.1262 0.4067 0.4061
Echinococcus multilocularis transient receptor potential cation channel 0.012 0.031 0.0271
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1439 0.4646 1
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0067 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.004 0.003
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.012 0.031 0.0271
Echinococcus multilocularis hyperpolarization activated cyclic 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus granulosus transient receptor potential cation channel 0.012 0.031 0.0271
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0046 0.0849
Toxoplasma gondii transporter, cation channel family protein 0.012 0.031 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.012 0.031 0.0271
Echinococcus multilocularis two pore calcium channel protein 2 0.012 0.031 0.0271
Echinococcus multilocularis Niemann Pick C1 protein 0.1262 0.4067 0.4043
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0082 0.0072
Trypanosoma brucei unspecified product 0.0046 0.0067 0.0057
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1439 0.4646 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0043 0.0033
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.004 0.0003
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.012 0.031 0.0271
Brugia malayi Cyclic-nucleotide gated cation channel 0.012 0.031 0.03
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.012 0.031 0.03
Echinococcus multilocularis expressed protein 0.004 0.0046 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0062 0.0052
Echinococcus granulosus expressed protein 0.004 0.0046 0.0007
Toxoplasma gondii transporter, cation channel family protein 0.012 0.031 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.012 0.031 0.0271
Schistosoma mansoni hypothetical protein 0.0164 0.0454 0.0423
Echinococcus granulosus potassium voltage gated channel protein 0.012 0.031 0.0271
Schistosoma mansoni aldehyde dehydrogenase 0.0118 0.0302 0.027
Echinococcus multilocularis dna polymerase eta 0.0077 0.0167 0.0128
Schistosoma mansoni ap endonuclease 0.004 0.0046 0.0013
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0067 0.0067
Echinococcus granulosus sodium channel protein 0.012 0.031 0.0271
Schistosoma mansoni alpha glucosidase 0.0038 0.004 0.0007
Echinococcus granulosus voltage gated hydrogen channel 1 0.012 0.031 0.0271
Leishmania major DNA polymerase eta, putative 0.0045 0.0062 0.0052
Echinococcus multilocularis dna polymerase kappa 0.0046 0.0067 0.0027
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Leishmania major DNA polymerase eta, putative 0.0077 0.0167 0.0157
Echinococcus granulosus potassium voltage gated channel protein 0.012 0.031 0.0271
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.012 0.031 0.03
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.012 0.031 0.03
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0046 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0046 0.0067 0.0034
Toxoplasma gondii aldehyde dehydrogenase 0.0118 0.0302 0.9733
Echinococcus multilocularis potassium voltage gated channel protein 0.012 0.031 0.0271
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.004 0.003
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0046 0.0013
Echinococcus granulosus potassium large conductance calcium activated 0.012 0.031 0.0271
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.031 0.0278
Leishmania major mitochondrial DNA polymerase beta 0.0361 0.1102 0.1093
Echinococcus multilocularis voltage gated potassium channel 0.012 0.031 0.0271
Echinococcus granulosus transient receptor potential gamma protein 0.012 0.031 0.0271
Echinococcus multilocularis transient receptor potential gamma protein 0.012 0.031 0.0271
Echinococcus multilocularis shaker cognate 0.012 0.031 0.0271
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3066 1 1
Onchocerca volvulus 0.0173 0.0485 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.002 0.001
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.012 0.031 0.03
Leishmania major cathepsin L-like protease 0.0073 0.0156 0.0146
Leishmania major cathepsin L-like protease 0.0073 0.0156 0.0146
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0167 0.0157
Schistosoma mansoni transient receptor potential channel 0.012 0.031 0.0278
Toxoplasma gondii hypothetical protein 0.012 0.031 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.012 0.031 0.0271
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus granulosus voltage gated potassium channel 0.012 0.031 0.0271
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.012 0.031 0.0271
Schistosoma mansoni two-pore calcium channel 0.012 0.031 0.0278
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.012 0.031 0.0271
Leishmania major hypothetical protein, unknown function 0.012 0.031 0.03
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0043 0.0033
Echinococcus multilocularis potassium voltage gated channel protein 0.012 0.031 0.0271
Mycobacterium ulcerans hypothetical protein 0.019 0.054 0.054
Schistosoma mansoni voltage-gated ion channel 0.012 0.031 0.0278
Echinococcus granulosus cyclic nucleotide gated cation channel 0.012 0.031 0.0271
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.012 0.031 0.0271
Echinococcus multilocularis sodium leak channel non selective protein 0.012 0.031 0.0271
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0088 0.0078
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0046 0.0006
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Trichomonas vaginalis conserved hypothetical protein 0.0197 0.0563 0.1135
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0171 0.0477 0.0467
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0853 0.2721 0.2692
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.012 0.031 0.0586
Brugia malayi hypothetical protein 0.012 0.031 0.03
Schistosoma mansoni transient receptor potential channel 0.012 0.031 0.0278
Echinococcus granulosus Niemann Pick C1 protein 0.1262 0.4067 0.4043
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.012 0.031 0.0278
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Schistosoma mansoni 60S ribosomal protein L21 0.012 0.031 0.0278
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1262 0.4067 0.4047
Schistosoma mansoni transient receptor potential channel 4 0.012 0.031 0.0278
Echinococcus granulosus potassium voltage gated channel subfamily C 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Giardia lamblia DINP protein human, muc B family 0.0046 0.0067 0.0046
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.012 0.031 0.03
Echinococcus granulosus sodium leak channel non selective protein 0.012 0.031 0.0271
Toxoplasma gondii exonuclease III APE 0.004 0.0046 0.1191
Echinococcus multilocularis sodium channel protein 0.012 0.031 0.0271
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0046 0.0006
Echinococcus granulosus ryanodine receptor 44f 0.012 0.031 0.0271
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.0135 0.0125
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0156 0.0146
Echinococcus granulosus short transient receptor potential channel 6 0.012 0.031 0.0271
Echinococcus multilocularis voltage gated potassium channel 0.012 0.031 0.0271
Echinococcus granulosus hyperpolarization activated cyclic 0.012 0.031 0.0271
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1439 0.4646 1
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.0733 0.0696
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.012 0.031 0.0271
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.012 0.031 0.03
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus multilocularis transfer RNA-Gly 0.012 0.031 0.0271
Brugia malayi Glycosyl hydrolases family 31 protein 0.0171 0.0479 0.0469
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus multilocularis short transient receptor potential channel 6 0.012 0.031 0.0271
Toxoplasma gondii hypothetical protein 0.012 0.031 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.012 0.031 0.0271
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.012 0.031 0.0271
Chlamydia trachomatis transglycolase/transpeptidase 0.0026 0 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3066 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus granulosus potassium voltage gated channel protein 0.012 0.031 0.0271
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.012 0.031 0.0278
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.004 0.003
Loa Loa (eye worm) voltage-gated potassium channel 0.012 0.031 0.03
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0219 0.0209
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.0733 0.0696
Echinococcus granulosus dna polymerase eta 0.0077 0.0167 0.0128
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0046 0.0036
Trypanosoma brucei unspecified product 0.0032 0.002 0.001
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Leishmania major hypothetical protein, conserved 0.012 0.031 0.03
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0046 1
Echinococcus granulosus hyperpolarization activated cyclic 0.012 0.031 0.0271
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0109 0.0274 0.0274
Onchocerca volvulus 0.0052 0.0086 0.0105
Loa Loa (eye worm) ion channel NompC 0.012 0.031 0.03
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.012 0.031 0.0278
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0046 0.0036
Brugia malayi olfactory channel protein osm-9 0.012 0.031 0.03
Schistosoma mansoni terminal deoxycytidyl transferase 0.0046 0.0067 0.0034
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0046 0.0012
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0046 0.0036
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.012 0.031 0.0586
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.012 0.031 0.03
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0197 0.0563 1
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Loa Loa (eye worm) hypothetical protein 0.0173 0.0485 0.0475
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0156 0.0146
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0171 0.0477 0.0467
Echinococcus granulosus sterol regulatory element binding protein 0.1262 0.4067 0.4043
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Echinococcus granulosus calcium activated potassium channel 0.012 0.031 0.0271
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.012 0.031 0.0271
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.012 0.031 0.5656
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0046 0.0067 0.0057
Mycobacterium ulcerans aldehyde dehydrogenase 0.0118 0.0302 0.0302
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0118 0.0302 0.5586
Brugia malayi hypothetical protein 0.0249 0.0733 0.0724
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0082 0.0072
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0046 0.0036
Brugia malayi CHE-14 protein 0.1262 0.4067 0.4061
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.004 0.0003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0219 0.018
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.012 0.031 0.0278
Echinococcus granulosus transient receptor potential cation channel 0.012 0.031 0.0271
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.002 0.001
Echinococcus multilocularis voltage dependent calcium channel 0.012 0.031 0.0271
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3066 1 1
Brugia malayi cation channel family protein 0.012 0.031 0.03
Toxoplasma gondii transporter, cation channel family protein 0.012 0.031 1
Echinococcus granulosus potassium voltage gated channel protein 0.012 0.031 0.0271
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.012 0.031 0.03
Trypanosoma brucei unspecified product 0.0032 0.002 0.001
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0088 0.0205 0.3788
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0167 0.0157
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 0.0479 0.0469
Brugia malayi hypothetical protein 0.0038 0.004 0.0029
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0088 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0219 0.0187
Echinococcus granulosus transient receptor potential cation channel 0.012 0.031 0.0271
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0119 0.0108
Schistosoma mansoni hypothetical protein 0.0038 0.004 0.0007
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.012 0.031 0.03
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.012 0.031 0.03
Echinococcus granulosus voltage dependent calcium channel 0.012 0.031 0.0271
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.012 0.031 0.0278
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.004 0.1002
Schistosoma mansoni hypothetical protein 0.012 0.031 0.0278
Echinococcus multilocularis voltage dependent calcium channel 0.012 0.031 0.0271
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0046 1
Schistosoma mansoni alpha-glucosidase 0.0148 0.04 0.0369
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0043 0.0033
Loa Loa (eye worm) voltage-gated calcium channel 0.012 0.031 0.03
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus multilocularis voltage gated hydrogen channel 1 0.012 0.031 0.0271
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.004 0.003
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Leishmania major cathepsin L-like protease 0.0073 0.0156 0.0146
Echinococcus multilocularis sterol regulatory element binding protein 0.1262 0.4067 0.4043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Trichomonas vaginalis rotamase, putative 0.0039 0.0043 0.0007
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.0479 0.0441
Echinococcus multilocularis transient receptor potential cation channel 0.012 0.031 0.0271
Echinococcus multilocularis calcium activated potassium channel 0.012 0.031 0.0271
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0082 0.0072
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0046 0.0036
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0109 0.0274 0.5062
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0693 0.2194 0.4675
Toxoplasma gondii hypothetical protein 0.0058 0.0107 0.3217
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0167 0.0157
Echinococcus granulosus hypothetical protein 0.012 0.031 0.0271
Echinococcus multilocularis conserved hypothetical protein 0.012 0.031 0.0271
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.012 0.031 0.0271
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.012 0.031 0.0271
Treponema pallidum penicillin-binding protein (pbp-2) 0.0197 0.0563 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0033 0.0023
Brugia malayi hypothetical protein 0.0173 0.0485 0.0475
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0046 0.0067 0.0058
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0361 0.1102 0.1093
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.012 0.031 0.0278
Leishmania major DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0219 0.018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.012 0.031 0.03
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Mycobacterium ulcerans aldehyde dehydrogenase 0.0118 0.0302 0.0302
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.012 0.031 0.0271
Schistosoma mansoni patched 1 0.1262 0.4067 0.4047
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.012 0.031 0.0271
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Echinococcus granulosus potassium voltage gated channel subfamily A 0.012 0.031 0.0271
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0067 0.0057
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0086 0.0053
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0046 0.0036
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.031 0.0278
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.012 0.031 0.03
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus granulosus geminin 0.0164 0.0454 0.0416
Echinococcus granulosus tumor protein p63 0.0355 0.1084 0.1049
Onchocerca volvulus 0.0099 0.0241 0.3949
Echinococcus granulosus voltage dependent calcium channel 0.012 0.031 0.0271
Schistosoma mansoni ryanodine receptor related 0.012 0.031 0.0278
Echinococcus granulosus two pore calcium channel protein 2 0.012 0.031 0.0271
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0219 0.0209
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0156 0.0146
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.004 0.0001
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0046 0.0067 0.0057
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0109 0.0274 0.4857
Schistosoma mansoni ap endonuclease 0.004 0.0046 0.0013
Leishmania major calcium channel protein, putative,ion transporter, putative 0.012 0.031 0.03
Schistosoma mansoni transient receptor potential channel 0.012 0.031 0.0278
Brugia malayi Transient-receptor-potential like protein 0.012 0.031 0.03
Echinococcus granulosus dna polymerase kappa 0.0046 0.0067 0.0027
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.012 0.031 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0088 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0219 0.0187
Chlamydia trachomatis transglycolase/transpeptidase 0.0026 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0046 0.0067 0.1237
Echinococcus granulosus potassium voltage gated channel subfamily H 0.012 0.031 0.0271
Echinococcus granulosus TRP transient receptor potential channel 0.012 0.031 0.0271
Echinococcus multilocularis transient receptor potential cation channel 0.012 0.031 0.0271
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0046 0.0067 0.0027
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0082 0.0072
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 0.0479 0.0441
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1439 0.4646 1
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Echinococcus granulosus transient receptor potential cation channel 0.012 0.031 0.0271
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0046 0.0029
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0197 0.0563 0.0563
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0118 0.0302 0.0292
Echinococcus multilocularis ryanodine receptor 44f 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.0249 0.0733 0.0724
Loa Loa (eye worm) hypothetical protein 0.0077 0.0167 0.0157
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.012 0.031 0.0271
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.012 0.031 0.0278
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0082 0.0072
Schistosoma mansoni vesicular amine transporter 0.012 0.031 0.0278
Onchocerca volvulus 0.012 0.031 0.5656
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.012 0.031 0.0271
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3066 1 1
Schistosoma mansoni hypothetical protein 0.0051 0.0082 0.0049
Echinococcus granulosus transient receptor potential cation channel 0.012 0.031 0.0271
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0118 0.0302 0.0263
Brugia malayi cation channel family protein 0.012 0.031 0.03
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.012 0.031 0.0278
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0043 0.1106
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Loa Loa (eye worm) hypothetical protein 0.3066 1 1
Schistosoma mansoni voltage-gated cation channel 0.012 0.031 0.0278
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.004 0.003
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.012 0.031 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0361 0.1102 0.1093
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0046 0.0036
Echinococcus multilocularis TRP (transient receptor potential) channel 0.012 0.031 0.0271
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Schistosoma mansoni voltage-dependent calcium channel 0.012 0.031 0.0278
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0156 0.0146
Echinococcus multilocularis transient receptor potential cation channel 0.012 0.031 0.0271
Mycobacterium ulcerans aldehyde dehydrogenase 0.0118 0.0302 0.0302
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0219 0.0187
Schistosoma mansoni calcium-activated potassium channel 0.012 0.031 0.0278
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.012 0.031 0.0271
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.0479 0.0441
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0067 0.0057
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.012 0.031 0.03
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Echinococcus multilocularis protein dispatched 1 0.1262 0.4067 0.4043
Echinococcus multilocularis tumor protein p63 0.0355 0.1084 0.1049
Echinococcus multilocularis potassium voltage gated channel protein 0.012 0.031 0.0271
Echinococcus multilocularis geminin 0.0164 0.0454 0.0416
Trichomonas vaginalis rotamase, putative 0.004 0.0046 0.0013
Echinococcus granulosus two pore calcium channel protein 1 0.012 0.031 0.0271
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0046 0.0814
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.012 0.031 0.0278
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0118 0.0302 0.0263
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0219 0.018
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Loa Loa (eye worm) voltage-gated potassium channel 0.012 0.031 0.03
Schistosoma mansoni rotamase 0.004 0.0046 0.0013
Mycobacterium tuberculosis Conserved hypothetical protein 0.019 0.054 1
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3066 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0046 0.0067 0.1237
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.012 0.031 0.03
Loa Loa (eye worm) voltage-dependent calcium channel 0.012 0.031 0.03
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.002 0.001
Echinococcus granulosus short transient receptor potential channel 6 0.012 0.031 0.0271
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0361 0.1102 0.1093
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0043 0.0017
Schistosoma mansoni survival motor neuron protein 0.0051 0.0082 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.1262 0.4067 0.8742
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0156 0.0146
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.012 0.031 0.0271
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0067 0.0067
Schistosoma mansoni DNA polymerase eta 0.0077 0.0167 0.0134
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.012 0.031 0.03
Echinococcus multilocularis transient receptor potential cation channel 0.012 0.031 0.0271
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0171 0.0477 0.0467
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0033 0.0023
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Brugia malayi voltage-dependent calcium channel 0.012 0.031 0.03
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0067 0.0057
Echinococcus granulosus potassium voltage gated channel protein 0.012 0.031 0.0271
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1262 0.4067 0.4061
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0046 0.0067 0.0027
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.004 0.0001
Schistosoma mansoni aldehyde dehydrogenase 0.0118 0.0302 0.027
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.031 0.0278
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.012 0.031 0.0271
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.012 0.031 0.0278
Loa Loa (eye worm) hypothetical protein 0.012 0.031 0.03
Schistosoma mansoni inositol 145-trisphosphate receptor 0.012 0.031 0.0278
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0693 0.2194 1
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0067 0.0057
Echinococcus multilocularis short transient receptor potential channel 6 0.012 0.031 0.0271
Entamoeba histolytica deoxycytidyl transferase, putative 0.0046 0.0067 0.0126
Echinococcus granulosus voltage gated potassium channel 0.012 0.031 0.0271
Schistosoma mansoni voltage-gated potassium channel 0.012 0.031 0.0278
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.012 0.031 0.5656
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0046 0.0012
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.031 0.0278
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0046 0.0046
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.012 0.031 0.0278
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.012 0.031 0.03
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.012 0.031 0.03
Brugia malayi ion channel NompC 0.012 0.031 0.03

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 Antimaximal electroshock seizure (MES) activity in mice after peroral administration of 100 mg/kg of compound; 0/5 ChEMBL. 2891853
Control (functional) = 106 % 3,4 -Dihydroxy phenylacetic acid (DOPAC) levels in mouse brain at 10 mg/kg dose. ChEMBL. 2891853
Control (functional) = 181 % The homovanillic acid (HVA) levels in mouse brain at 10 mg/kg of dose. ChEMBL. 2891853
Control (functional) = 291 % 3,4 -Dihydroxy phenylacetic acid (DOPAC) levels in mouse brain at 50 mg/kg dose. ChEMBL. 2891853
Control (functional) = 335 % The homovanillic acid (HVA) levels in mouse brain at 50 mg/kg of dose. ChEMBL. 2891853
Inhibition (functional) < 30 % Antireserpine activity(RES) of mice after peroral administration of 50 mg/kg of compound; No inhibition ChEMBL. 2891853
Inhibition (functional) < 30 % Antitremorine activity(TRM) of mice after peroral administration of 100 mg/kg of compound; No inhibition ChEMBL. 2891853
Inhibition (functional) = 31 % Antiexploratory activity (EXPL) of mice determined by an antimex activity meter, 50 mg/kg of dose was administered perorally; Slight inhibition (31-50%) ChEMBL. 2891853
Inhibition (functional) = 31.9 % Exploratory activity of mice determined by an antimex activity meter, 10 mg/kg of dose was administered perorally ChEMBL. 2891853
Inhibition (functional) = 36.1 % Exploratory activity of mice determined by an antimex activity meter, 50 mg/kg of dose was administered perorally ChEMBL. 2891853
Inhibition (functional) = 72.5 % Inhibition of apomorphine induced emesis in dogs at 1 mg/kg of dose. ChEMBL. 2891853

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

1 literature reference was collected for this gene.

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