Detailed information for compound 1190281

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.8 | Formula: C10H27ClN4O2
  • H donors: 6 H acceptors: 2 LogP: -2.23 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCNC[C@H]([C@H](CNCCCN)O)O.Cl
  • InChi: 1S/C10H26N4O2.ClH/c11-3-1-5-13-7-9(15)10(16)8-14-6-2-4-12;/h9-10,13-16H,1-8,11-12H2;1H/t9-,10+;
  • InChiKey: BEWUOAWQORJFKR-JMVWIVNTSA-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
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0733 0.1132
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0056 0.0027
Loa Loa (eye worm) hypothetical protein 0.0264 0.5719 0.6782
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.065 0.2687
Toxoplasma gondii melibiase subfamily protein 0.0116 0.231 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.065 0.1003
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1283 0.198
Schistosoma mansoni ap endonuclease 0.0019 0.0056 0.0087
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Brugia malayi DIX domain containing protein 0.0019 0.0052 0.0022
Onchocerca volvulus 0.0048 0.0733 0.0815
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0888 0.0852
Brugia malayi isocitrate dehydrogenase 0.0018 0.0039 0.0007
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0062 0.0022
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0062 0.0022
Loa Loa (eye worm) carboxylesterase 0.0264 0.5719 0.6782
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.4099 0.4075
Schistosoma mansoni hypothetical protein 0.0297 0.6481 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.204 0.881
Schistosoma mansoni polycystin 1-related 0.0019 0.0062 0.0095
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0733 0.0697
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.231 0.3564
Schistosoma mansoni acetylcholinesterase 0.0045 0.065 0.1003
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0261 0.3453
Echinococcus multilocularis neuropeptide receptor A26 0.0449 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.204 0.881
Loa Loa (eye worm) hypothetical protein 0.0019 0.0062 0.0027
Schistosoma mansoni loxhd1 0.0019 0.0062 0.0095
Echinococcus multilocularis acetylcholinesterase 0.0264 0.5719 0.5702
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0056 0.5
Onchocerca volvulus 0.0045 0.065 0.0715
Loa Loa (eye worm) hypothetical protein 0.0028 0.0261 0.0264
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.4099 0.4075
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0045 0.065 0.4373
Loa Loa (eye worm) MBCTL1 0.0055 0.0888 0.1013
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0681 0.0644
Toxoplasma gondii exonuclease III APE 0.0019 0.0056 0.0244
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1283 0.198
Echinococcus granulosus carboxylesterase 5A 0.0264 0.5719 0.5702
Brugia malayi MH2 domain containing protein 0.0121 0.2408 0.2833
Schistosoma mansoni lipoxygenase 0.008 0.147 0.2268
Loa Loa (eye worm) TAR-binding protein 0.0072 0.1283 0.1485
Echinococcus granulosus Pleckstrin G protein interacting region 0.0019 0.0052 0.0013
Schistosoma mansoni hypothetical protein 0.0167 0.3487 0.538
Echinococcus granulosus RUN 0.0019 0.0062 0.0022
Echinococcus multilocularis geminin 0.0167 0.3487 0.3461
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0052 0.0013
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0056 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.231 0.3564
Trichomonas vaginalis spcc417.12 protein, putative 0.0045 0.065 0.4373
Loa Loa (eye worm) DIX domain-containing protein 0.0019 0.0052 0.0015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.065 0.1003
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0062 0.0022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0052 0.0015
Schistosoma mansoni lipoxygenase 0.0115 0.2267 0.3497
Brugia malayi hypothetical protein 0.0019 0.0052 0.0022
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.231 0.3564
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0733 0.0815
Echinococcus multilocularis carboxylesterase 5A 0.0264 0.5719 0.5702
Onchocerca volvulus 0.0045 0.065 0.0715
Echinococcus multilocularis neuroligin 0.0045 0.065 0.0613
Echinococcus multilocularis para nitrobenzyl esterase 0.0045 0.065 0.0613
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.2744 0.323
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Schistosoma mansoni dishevelled 0.0019 0.0052 0.008
Toxoplasma gondii hypothetical protein 0.0019 0.0052 0.0225
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0733 0.1132
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0116 0.231 0.228
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0052 0.008
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0078 0.1414 1
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0733 0.0829
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0888 0.0852
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1283 0.198
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0116 0.231 0.228
Schistosoma mansoni ap endonuclease 0.0019 0.0056 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1283 0.198
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0052 0.0015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0264 0.5719 0.8824
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.231 0.3564
Brugia malayi N-terminal motif family protein 0.0381 0.8415 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0039 0.0007
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0733 0.0697
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0733 0.1132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.2744 0.4234
Echinococcus granulosus segment polarity protein dishevelled 0.0019 0.0052 0.0013
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Loa Loa (eye worm) carboxylesterase 0.0045 0.065 0.0729
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.2311 1
Echinococcus granulosus tar DNA binding protein 0.0072 0.1283 0.1249
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0056 0.0263
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.2267 0.2236
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.204 0.881
Echinococcus multilocularis segment polarity protein dishevelled 0.0019 0.0052 0.0013
Schistosoma mansoni neuroligin 3 (S09 family) 0.0045 0.065 0.1003
Plasmodium falciparum thioredoxin reductase 0.0046 0.0681 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0888 0.1019
Echinococcus multilocularis BC026374 protein (S09 family) 0.0045 0.065 0.0613
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.065 0.2687
Loa Loa (eye worm) RNA binding protein 0.0072 0.1283 0.1485
Loa Loa (eye worm) hypothetical protein 0.0019 0.0052 0.0015
Plasmodium falciparum glutathione reductase 0.0046 0.0681 1
Echinococcus granulosus neuroligin 0.0045 0.065 0.0613
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0019 0.0052 0.0013
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0056 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0681 1
Brugia malayi Melibiase family protein 0.0078 0.1414 0.1647
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0733 0.0697
Echinococcus multilocularis segment polarity protein dishevelled 0.0019 0.0052 0.0013
Brugia malayi Thioredoxin reductase 0.0046 0.0681 0.0772
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0261 0.3453
Onchocerca volvulus 0.0019 0.0062 0.0012
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0733 0.0697
Brugia malayi mbt repeat family protein 0.0048 0.0733 0.0835
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0681 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.2744 0.4234
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0261 0.1129
Schistosoma mansoni BC026374 protein (S09 family) 0.0045 0.065 0.1003
Brugia malayi hypothetical protein 0.0019 0.0062 0.0034
Schistosoma mansoni dishevelled 0.0019 0.0052 0.008
Leishmania major trypanothione reductase 0.0046 0.0681 1
Brugia malayi hypothetical protein 0.0028 0.0261 0.0271
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0039 0.0171
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0056 0.0074
Brugia malayi TAR-binding protein 0.0072 0.1283 0.1491
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.2744 0.2716
Echinococcus granulosus acetylcholinesterase 0.0264 0.5719 0.5702
Echinococcus granulosus geminin 0.0167 0.3487 0.3461
Schistosoma mansoni hypothetical protein 0.0019 0.0062 0.0095
Leishmania major hypothetical protein, conserved 0.0028 0.0261 0.3453
Schistosoma mansoni hypothetical protein 0.0167 0.3487 0.538
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0056 0.0263
Loa Loa (eye worm) hypothetical protein 0.0055 0.0888 0.1013
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0062 0.0022
Echinococcus multilocularis tar DNA binding protein 0.0072 0.1283 0.1249
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0381 0.8415 1
Brugia malayi hypothetical protein 0.0019 0.0062 0.0034
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.2267 0.2236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0056 0.002
Brugia malayi hypothetical protein 0.0019 0.0052 0.0022
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.204 0.881
Loa Loa (eye worm) acetylcholinesterase 1 0.0264 0.5719 0.6782
Schistosoma mansoni gliotactin 0.0045 0.065 0.1003
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0019 0.0052 0.008
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0062 0.0347
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0261 0.3453
Brugia malayi Carboxylesterase family protein 0.0264 0.5719 0.6784
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0056 0.0017
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0062 0.0022
Schistosoma mansoni rab6-interacting 0.0019 0.0062 0.0095
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.2311 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.1283 0.1485
Loa Loa (eye worm) hypothetical protein 0.0019 0.0052 0.0015
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0261 0.3453
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0052 0.0013
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.1283 0.1491
Echinococcus granulosus neuropeptide receptor A26 0.0449 1 1
Brugia malayi Carboxylesterase family protein 0.0045 0.065 0.0735
Echinococcus multilocularis RUN 0.0019 0.0062 0.0022
Loa Loa (eye worm) hypothetical protein 0.0048 0.0733 0.0829
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0681 0.2823
Mycobacterium tuberculosis Probable reductase 0.0105 0.204 0.881
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0888 0.0852
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0062 0.0027
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.2408 0.2828
Loa Loa (eye worm) hypothetical protein 0.0381 0.8415 1
Brugia malayi Carboxylesterase family protein 0.0264 0.5719 0.6784
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.2311 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0045 0.065 0.0613
Echinococcus granulosus acetylcholinesterase 0.0264 0.5719 0.5702
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0056 0.0263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.2744 0.4234
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0261 0.3453
Toxoplasma gondii thioredoxin reductase 0.0046 0.0681 0.2946
Loa Loa (eye worm) hypothetical protein 0.0019 0.0062 0.0027
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0019 0.0052 0.0022
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0039 0.0171
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.2744 0.3234
Brugia malayi Carboxylesterase family protein 0.0045 0.065 0.0735
Echinococcus granulosus para nitrobenzyl esterase 0.0045 0.065 0.0613
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0045 0.065 0.0613
Mycobacterium tuberculosis Carboxylesterase LipT 0.0045 0.065 0.2687
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.204 0.881
Brugia malayi hypothetical protein 0.0045 0.065 0.0735
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.1414 0.2181
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0888 0.0852
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0888 0.137
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0056 0.0263
Loa Loa (eye worm) carboxylesterase 0.0045 0.065 0.0729
Onchocerca volvulus 0.0019 0.0062 0.0012
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.065 0.1003
Brugia malayi glutathione reductase 0.0046 0.0681 0.0772
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0052 0.0013
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0052 0.0013
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.1414 0.2181
Loa Loa (eye worm) hypothetical protein 0.0078 0.1414 0.1641
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1283 0.198
Onchocerca volvulus 0.0045 0.065 0.0715
Brugia malayi Carboxylesterase family protein 0.0045 0.065 0.0735
Onchocerca volvulus 0.0045 0.065 0.0715
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0681 0.0766
Schistosoma mansoni dep domain containing protein 0.0019 0.0052 0.008
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0056 0.0263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.2744 0.2716
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0062 0.0347
Brugia malayi RNA binding protein 0.0072 0.1283 0.1491
Echinococcus granulosus segment polarity protein dishevelled 0.0019 0.0052 0.0013
Brugia malayi mbt repeat family protein 0.0048 0.0733 0.0835
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.2744 0.2716
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0062 0.0022
Plasmodium vivax glutathione reductase, putative 0.0046 0.0681 1
Brugia malayi Carboxylesterase family protein 0.0045 0.065 0.0735
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0681 0.0644
Trypanosoma brucei trypanothione reductase 0.0046 0.0681 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0116 0.231 0.228
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0056 0.0263
Schistosoma mansoni rab6-interacting 0.0019 0.0062 0.0095
Mycobacterium ulcerans carboxylesterase, LipT 0.0045 0.065 1
Onchocerca volvulus 0.0045 0.065 0.0715
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0052 0.008
Loa Loa (eye worm) hypothetical protein 0.0264 0.5719 0.6782
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.2408 0.2828
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Echinococcus granulosus BC026374 protein S09 family 0.0045 0.065 0.0613
Echinococcus multilocularis neuropeptide s receptor 0.0449 1 1
Brugia malayi Doublecortin family protein 0.0019 0.0062 0.0034
Echinococcus multilocularis acetylcholinesterase 0.0264 0.5719 0.5702
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0019 0.0052 0.0022
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0056 0.0017
Loa Loa (eye worm) glutathione reductase 0.0046 0.0681 0.0766
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.2744 0.2716
Loa Loa (eye worm) hypothetical protein 0.0045 0.065 0.0729
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0261 0.3453
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.2311 1
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0052 0.0022
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0039 0.0061
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0056 0.5

Activities

No activities found for this compound.

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.