Detailed information for compound 1029003

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.933 | Formula: C22H30ClNO
  • H donors: 1 H acceptors: 1 LogP: 5.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCC(C(C1)c1ccc(cc1)C)C(c1ccc(cc1)C)O.Cl
  • InChi: 1S/C22H29NO.ClH/c1-4-23-14-13-20(22(24)19-11-7-17(3)8-12-19)21(15-23)18-9-5-16(2)6-10-18;/h5-12,20-22,24H,4,13-15H2,1-3H3;1H
  • InChiKey: YIQPMJFGYZSOJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium ulcerans hydrolase 0.0168 0.0641 0.8696
Onchocerca volvulus 0.0035 0.007 0.0567
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.007 0.1061
Brugia malayi Calcitonin receptor-like protein seb-1 0.0354 0.1443 0.4641
Loa Loa (eye worm) hypothetical protein 0.0354 0.1443 0.4641
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0062 0.0274
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0062 0.2145
Toxoplasma gondii aldehyde dehydrogenase 0.019 0.0737 1
Toxoplasma gondii thioredoxin reductase 0.0086 0.0286 0.351
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0313 0.0313
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0003 0.0002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0151 0.0569 0.1828
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.007 0.0225
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0138 0.3021
Echinococcus granulosus thioredoxin glutathione reductase 0.0086 0.0288 0.0288
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0622 0.2592 1
Trichomonas vaginalis ran, putative 0.0046 0.0118 0.1806
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0173 0.0173
Toxoplasma gondii NADPH-glutathione reductase 0.003 0.0046 0.0041
Loa Loa (eye worm) hypothetical protein 0.0172 0.0659 0.2119
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0029 0.0043 0.0626
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.007 0.0789
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0313 0.1006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.007 0.0212
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0118 0.2566
Brugia malayi glutathione reductase 0.0086 0.0286 0.092
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0014
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0138 0.0512 0.155
Entamoeba histolytica hypothetical protein 0.0051 0.0138 0.3021
Leishmania major trypanothione reductase 0.0086 0.0286 0.3862
Loa Loa (eye worm) hypothetical protein 0.0027 0.0034 0.0108
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.007 0.0789
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0217 0.0852 0.9554
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0954
Loa Loa (eye worm) matrixin family protein 0.0334 0.1353 0.4354
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0313 0.0313
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.007 0.007
Trypanosoma cruzi trypanothione reductase, putative 0.0086 0.0286 0.6335
Mycobacterium tuberculosis Probable dehydrogenase 0.0195 0.0758 0.8503
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0029 0.0043 0.089
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0195 0.0758 0.8503
Echinococcus granulosus dna polymerase kappa 0.002 0.0003 0.0002
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.0958 0.3081
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0005 0.0149
Mycobacterium ulcerans aldehyde dehydrogenase 0.019 0.0737 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0124 0.045 0.5049
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.003 0.0046 0.0145
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0029 0.0043 0.0128
Plasmodium vivax hypothetical protein, conserved 0.0035 0.007 0.2446
Trypanosoma brucei trypanothione reductase 0.0086 0.0286 0.6335
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0003 0.0008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.04 0.04
Brugia malayi hypothetical protein 0.0742 0.3108 1
Schistosoma mansoni lamin 0.0029 0.0041 0.0123
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0029 0.0043 0.1479
Loa Loa (eye worm) hypothetical protein 0.0112 0.04 0.1287
Echinococcus multilocularis microtubule associated protein 2 0.0786 0.3297 0.3297
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0034 0.0424
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0029 0.0043 0.0128
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.003 0.0046 0.0582
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0046 0.0118 0.4103
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0798 0.3351 0.335
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0046 0.0118 0.0117
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0086 0.0286 0.3211
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.006 0.0176 0.0565
Mycobacterium tuberculosis Conserved protein 0.0035 0.007 0.0789
Brugia malayi T-complex protein 1, beta subunit 0.0029 0.0043 0.0136
Echinococcus granulosus lamin 0.0029 0.0041 0.004
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0041 0.013
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0034 0.0424
Trichomonas vaginalis mercuric reductase, putative 0.003 0.0046 0.0671
Brugia malayi T-complex protein 1, beta subunit 0.0029 0.0043 0.0136
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.0958 0.3081
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.003 0.0046 0.0954
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.003 0.0046 0.158
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0034 0.0424
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.007 0.0789
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.019 0.0737 1
Schistosoma mansoni lamin 0.0029 0.0041 0.0123
Echinococcus multilocularis geminin 0.0539 0.2237 0.2237
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0124 0.045 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0062 0.0925
Brugia malayi RNA, U transporter 1 0.0179 0.069 0.2219
Loa Loa (eye worm) 6-phosphofructokinase 0.0124 0.045 0.1448
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0062 0.0274
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0502 0.2076 0.2076
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.045 1
Onchocerca volvulus 0.0055 0.0153 0.1238
Loa Loa (eye worm) hypothetical protein 0.0055 0.0153 0.0492
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0313 0.1006
Toxoplasma gondii HEAT repeat-containing protein 0.0063 0.0189 0.2113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0354 0.1443 0.4641
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0582
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0014
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0153 0.0464
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.007 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0313 0.0948
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.003 0.0046 0.0954
Echinococcus granulosus snurportin 1 0.0674 0.2816 0.2815
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0034 0.0108
Loa Loa (eye worm) matrixin family protein 0.0306 0.1235 0.3972
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.007 0.1061
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0005 0.0024
Schistosoma mansoni polycystin 1-related 0.0074 0.0235 0.0713
Schistosoma mansoni lipoxygenase 0.008 0.0263 0.0796
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.006 0.0176 0.3872
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0582
Onchocerca volvulus 0.0151 0.0569 0.4603
Schistosoma mansoni microtubule-associated protein tau 0.0786 0.3297 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.007 0.0444
Brugia malayi 6-phosphofructokinase 0.0124 0.045 0.1448
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0003 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.007 0.0212
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0029 0.0043 0.0042
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.006 0.0176 0.0513
Plasmodium falciparum glutathione reductase 0.003 0.0046 0.158
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0173 0.0556
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.045 1
Schistosoma mansoni hypothetical protein 0.0112 0.04 0.1213
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0005 0.0053
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.003 0.0046 0.0041
Brugia malayi Thioredoxin reductase 0.0086 0.0286 0.092
Plasmodium vivax glutathione reductase, putative 0.0086 0.0286 1
Onchocerca volvulus 0.0027 0.0034 0.0272
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0062 0.0925
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0189 0.4168
Echinococcus multilocularis importin subunit beta 1 0.0063 0.0189 0.0189
Loa Loa (eye worm) T-complex protein 1 0.0029 0.0043 0.0136
Brugia malayi Matrixin family protein 0.0334 0.1353 0.4354
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0014
Mycobacterium ulcerans hypothetical protein 0.0027 0.0034 0.0424
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0189 0.4168
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0034 0.0696
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0954
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0034 0.0424
Plasmodium falciparum T-complex protein 1 subunit beta 0.0029 0.0043 0.1479
Mycobacterium tuberculosis Probable reductase 0.0195 0.0758 0.8503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0313 0.0313
Schistosoma mansoni aldehyde dehydrogenase 0.019 0.0737 0.2233
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.045 0.7038
Leishmania major ATP-dependent phosphofructokinase 0.0124 0.045 0.6097
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0041 0.013
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0173 0.0173
Trypanosoma cruzi trypanothione reductase, putative 0.003 0.0046 0.0954
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0034 0.0696
Echinococcus multilocularis dna polymerase kappa 0.002 0.0003 0.0002
Onchocerca volvulus Matrilysin homolog 0.0138 0.0512 0.4142
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.003 0.0046 0.0954
Loa Loa (eye worm) hypothetical protein 0.0138 0.0512 0.1645
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0217 0.0852 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0225
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0033 0.0062 0.0399
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0062 0.0925
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.007 0.1061
Brugia malayi Matrixin family protein 0.0138 0.0512 0.1645
Plasmodium falciparum thioredoxin reductase 0.0086 0.0286 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.006 0.0176 0.6146
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0124 0.045 1
Brugia malayi beta-lactamase family protein 0.0035 0.007 0.0225
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.003 0.0046 0.0137
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.003 0.0046 0.0582
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0195 0.0758 0.8503
Schistosoma mansoni intermediate filament proteins 0.0029 0.0041 0.0123
Schistosoma mansoni survival motor neuron protein 0.0151 0.0569 0.1723
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.0639 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.007 0.0789
Loa Loa (eye worm) hypothetical protein 0.0242 0.096 0.3089
Echinococcus multilocularis snurportin 1 0.0674 0.2816 0.2815
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0195 0.0758 0.8503
Onchocerca volvulus 0.0029 0.0041 0.0328
Echinococcus granulosus dna polymerase eta 0.002 0.0003 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.007 0.1508
Schistosoma mansoni hypothetical protein 0.0112 0.04 0.1213
Loa Loa (eye worm) matrix metalloproteinase 0.0138 0.0512 0.1645
Echinococcus granulosus tumor protein p63 0.0374 0.1526 0.1525
Schistosoma mansoni hypothetical protein 0.0112 0.04 0.1213
Brugia malayi latrophilin 2 splice variant baaae 0.0242 0.096 0.3089
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0168 0.0641 0.7188
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.045 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.003 0.0046 0.0582
Schistosoma mansoni ran 0.0046 0.0118 0.0356
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0124 0.045 1
Brugia malayi beta-lactamase 0.0035 0.007 0.0225
Brugia malayi 6-phosphofructokinase 0.0124 0.045 0.1448
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0954
Schistosoma mansoni hypothetical protein 0.0112 0.04 0.1213
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.003 0.0046 0.0045
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0014
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.045 0.7038
Loa Loa (eye worm) beta-lactamase 0.0035 0.007 0.0225
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.007 0.0789
Echinococcus multilocularis thioredoxin glutathione reductase 0.0086 0.0288 0.0288
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0173 0.0173
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0954
Schistosoma mansoni ap endonuclease 0.006 0.0176 0.0533
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.007 0.0919
Echinococcus granulosus lamin dm0 0.0029 0.0041 0.004
Brugia malayi Matrixin family protein 0.0138 0.0512 0.1645
Echinococcus granulosus importin subunit beta 1 0.0063 0.0189 0.0189
Echinococcus multilocularis dna polymerase eta 0.002 0.0003 0.0002
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.006 0.0176 0.3872
Plasmodium vivax thioredoxin reductase, putative 0.0086 0.0286 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.003 0.0046 0.0954
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.006 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0225
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0029 0.0043 0.089
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0225
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0062 0.0925
Brugia malayi follicle stimulating hormone receptor 0.0239 0.0944 0.3036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0313 0.0948
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0172 0.0659 0.2119
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.007 0.1508
Mycobacterium leprae PROBABLE HYDROLASE 0.0168 0.0641 0.742
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0225
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.003 0.0046 0.158
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.007 0.1061
Leishmania major importin beta-1 subunit, putative 0.0051 0.0138 0.1842
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.003 0.0046 0.0512
Loa Loa (eye worm) hypothetical protein 0.0129 0.0471 0.1515
Loa Loa (eye worm) glutathione reductase 0.0086 0.0286 0.092
Giardia lamblia TCP-1 chaperonin subunit beta 0.0029 0.0043 0.2298
Plasmodium vivax importin-beta 2, putative 0.0063 0.0189 0.661
Mycobacterium ulcerans aldehyde dehydrogenase 0.019 0.0737 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0502 0.2076 0.2076
Brugia malayi exodeoxyribonuclease III family protein 0.006 0.0176 0.0565
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.007 0.1508
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0138 0.2126
Schistosoma mansoni importin beta-1 0.0063 0.0189 0.0573
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0225
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0029 0.0043 0.089
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.006 0.0176 0.2361
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.045 0.7038
Schistosoma mansoni ap endonuclease 0.006 0.0176 0.0533
Schistosoma mansoni DNA polymerase eta 0.002 0.0003 0.0008
Leishmania major hypothetical protein, conserved 0.0035 0.007 0.0919
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.006 0.0176 0.2361
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.0411 0.0411
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.006 0.0176 0.6146
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0225
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0062 0.3396
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.0944 0.3036
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0138 0.2126
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0062 0.0925
Toxoplasma gondii exonuclease III APE 0.006 0.0176 0.1923
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0046 0.0954
Echinococcus granulosus geminin 0.0539 0.2237 0.2237
Schistosoma mansoni 6-phosphofructokinase 0.0124 0.045 0.1364
Brugia malayi MH2 domain containing protein 0.0242 0.0958 0.3081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.04 0.1287
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0034 0.0424
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0034 0.0424
Loa Loa (eye worm) hypothetical protein 0.0028 0.0039 0.0123
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0003 0.0008
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.003 0.0046 0.158
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0173 0.0173
Mycobacterium ulcerans 6-phosphofructokinase 0.0124 0.045 0.6097
Trichomonas vaginalis ap endonuclease, putative 0.006 0.0176 0.2725
Brugia malayi hypothetical protein 0.0129 0.0471 0.1515
Echinococcus granulosus survival motor neuron protein 1 0.0742 0.3108 0.3107
Schistosoma mansoni hypothetical protein 0.0539 0.2237 0.6785
Onchocerca volvulus 0.0138 0.0512 0.4142
Schistosoma mansoni hypothetical protein 0.0151 0.0569 0.1723
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0034 0.0424
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0034 0.0424
Brugia malayi Importin beta-1 subunit 0.0063 0.0189 0.0608
Mycobacterium ulcerans beta-lactamase 0.0035 0.007 0.0919
Loa Loa (eye worm) 6-phosphofructokinase 0.0124 0.045 0.1448
Onchocerca volvulus 0.0035 0.007 0.0567
Echinococcus multilocularis 6 phosphofructokinase 0.0124 0.045 0.045
Mycobacterium leprae Probable lipase LipE 0.0035 0.007 0.0444
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.04 0.04
Echinococcus multilocularis tumor protein p63 0.0374 0.1526 0.1525
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.007 0.1061
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0034 0.0108
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0313 0.0313
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.04 0.1287
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0034 0.0382
Echinococcus granulosus GTP binding nuclear protein Ran 0.0046 0.0118 0.0117
Onchocerca volvulus 0.0035 0.007 0.0567
Brugia malayi jmjC domain containing protein 0.0059 0.0173 0.0556
Plasmodium falciparum thioredoxin reductase 0.003 0.0046 0.158
Brugia malayi Hemopexin family protein 0.0196 0.076 0.2443
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0012 0.0036
Entamoeba histolytica Ran family GTPase 0.0046 0.0118 0.2566
Loa Loa (eye worm) thioredoxin reductase 0.0086 0.0286 0.092
Echinococcus multilocularis neuropeptide receptor A26 0.2344 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0641 0.2061
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.006 0.0176 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0012 0.0036
Schistosoma mansoni lipoxygenase 0.0115 0.0411 0.1247
Trichomonas vaginalis ap endonuclease, putative 0.006 0.0176 0.2725
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.04 0.04
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0003 0.0008
Onchocerca volvulus 0.0196 0.076 0.6152
Loa Loa (eye worm) hypothetical protein 0.0029 0.0041 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0014
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0138 0.2126
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.0892 1
Echinococcus multilocularis survival motor neuron protein 1 0.0742 0.3108 0.3107
Brugia malayi intermediate filament protein 0.0029 0.0041 0.013
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0046 0.0118 0.2566
Loa Loa (eye worm) hypothetical protein 0.0138 0.0512 0.1645
Mycobacterium tuberculosis Conserved protein 0.0035 0.007 0.0789
Mycobacterium ulcerans lipase LipD 0.0035 0.007 0.0919
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0354 0.1443 0.4641
Brugia malayi Latrophilin receptor protein 2 0.0112 0.04 0.1287
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0062 1
Trichomonas vaginalis glutathione reductase, putative 0.003 0.0046 0.0671
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.04 0.04
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0046 0.0118 0.6627
Echinococcus multilocularis musashi 0.0029 0.0041 0.004
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.007 0.0919
Treponema pallidum exodeoxyribonuclease (exoA) 0.006 0.0176 0.3226
Trichomonas vaginalis esterase, putative 0.0035 0.007 0.1061
Giardia lamblia NADH oxidase lateral transfer candidate 0.003 0.0046 0.2463
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.006 0.0176 0.0176
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.045 0.7038
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0062 1
Schistosoma mansoni ran 0.0046 0.0118 0.0356
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0034 0.0424
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.003 0.0046 0.0582
Toxoplasma gondii ABC1 family protein 0.0035 0.007 0.0398
Schistosoma mansoni hypothetical protein 0.0196 0.076 0.2303
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0062 0.2145
Schistosoma mansoni hypothetical protein 0.0242 0.096 0.2911
Loa Loa (eye worm) hypothetical protein 0.0027 0.0034 0.0108
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0062 0.2145
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.007 0.0789
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.019 0.0737 0.0736
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0034 0.0382
Mycobacterium ulcerans hypothetical protein 0.0035 0.007 0.0919
Echinococcus multilocularis lamin 0.0029 0.0041 0.004
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0029 0.0043 0.0042
Onchocerca volvulus Matrix metalloproteinase homolog 0.0306 0.1235 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0173 0.0524
Echinococcus multilocularis neuropeptide s receptor 0.2344 1 1
Onchocerca volvulus Huntingtin homolog 0.0129 0.0471 0.3815
Loa Loa (eye worm) hypothetical protein 0.002 0.0003 0.0008
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0046 0.0118 0.0377
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0062 0.2145
Brugia malayi Matrixin family protein 0.0138 0.0512 0.1645
Trichomonas vaginalis chaperonin, putative 0.0029 0.0043 0.0626
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0046 0.0118 0.4103
Brugia malayi jmjC domain containing protein 0.0059 0.0173 0.0556
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0954
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0173 0.0524
Onchocerca volvulus Huntingtin homolog 0.0129 0.0471 0.3815
Loa Loa (eye worm) hypothetical protein 0.0027 0.0034 0.0108
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0034 0.0108
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0034 0.0424
Mycobacterium ulcerans aldehyde dehydrogenase 0.019 0.0737 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.003 0.0046 0.0582
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0034 0.0696
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0003 0.0033
Echinococcus multilocularis GPCR, family 2 0.0112 0.04 0.04
Plasmodium falciparum glutathione reductase 0.0086 0.0286 1
Brugia malayi Matrixin family protein 0.0138 0.0512 0.1645
Loa Loa (eye worm) hypothetical protein 0.0138 0.0512 0.1645
Loa Loa (eye worm) phosphofructokinase 0.0124 0.045 0.1448
Onchocerca volvulus Matrilysin homolog 0.0306 0.1235 1
Loa Loa (eye worm) hypothetical protein 0.0742 0.3108 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0005 0.0149
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.003 0.0046 0.7168
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0217 0.0852 0.9554
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.003 0.0046 0.158
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0118 0.2566
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.019 0.0737 0.8261
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0129 0.0471 0.1515
Leishmania major GTP-binding protein, putative 0.0046 0.0118 0.1565
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0003 0.0033
Echinococcus granulosus microtubule associated protein 2 0.0786 0.3297 0.3297
Echinococcus multilocularis lamin dm0 0.0029 0.0041 0.004
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0046 0.0954
Loa Loa (eye worm) hypothetical protein 0.0063 0.0189 0.0608
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0062 0.0274
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0029 0.0043 0.0128
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.006 0.0176 0.1976
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0046 0.0118 0.1081
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0674 0.2816 0.906
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0046 0.0118 0.0377
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0003 0.0008
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0062 0.0925
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.017 0.065 0.1971
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.007 0.0789
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0062 0.1315
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.007 0.007
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0195 0.0758 0.8503
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0041 0.013
Echinococcus granulosus neuropeptide receptor A26 0.2344 1 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0168 0.0641 0.2061
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0173 0.0524
Entamoeba histolytica exodeoxyribonuclease III, putative 0.006 0.0176 0.3872
Schistosoma mansoni 6-phosphofructokinase 0.0124 0.045 0.1364
Echinococcus granulosus GPCR family 2 0.0112 0.04 0.04
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.0411 0.0411
Onchocerca volvulus 0.0029 0.0041 0.0328
Leishmania major T-complex protein 1, beta subunit, putative 0.0029 0.0043 0.0542
Plasmodium falciparum importin beta, putative 0.0063 0.0189 0.661
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.003 0.0046 0.0045
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0062 0.0925
Schistosoma mansoni aldehyde dehydrogenase 0.019 0.0737 0.2233
Brugia malayi beta-lactamase family protein 0.0035 0.007 0.0225
Echinococcus granulosus intermediate filament protein 0.0029 0.0041 0.004
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.006 0.0176 0.3872
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0195 0.0758 0.8854
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.019 0.0737 0.0736
Brugia malayi phosphofructokinase 0.0124 0.045 0.1448
Echinococcus granulosus 6 phosphofructokinase 0.0124 0.045 0.045
Schistosoma mansoni hypothetical protein 0.0539 0.2237 0.6785
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0124 0.045 0.5088
Mycobacterium tuberculosis Probable oxidoreductase 0.0217 0.0852 0.9554
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.007 0.0789
Schistosoma mansoni hypothetical protein 0.0674 0.2816 0.8539
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0046 0.0954
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0313 0.0948

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = -9 % Tested for its effect on testes weight 3 days after single oral dose (90 mg/kg) ChEMBL. 7877141
Reduction (functional) = 0 % Tested for its effect on testes weight 3 days after single oral dose (90 mg/kg) ChEMBL. 7877141
Reduction (functional) = 0 % Tested for its effect on spermatogenic index 3 days after single oral dose (90 mg/kg) , ChEMBL. 7877141

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.