Detailed information for compound 797837

Basic information

Technical information
  • TDR Targets ID: 797837
  • Name: ethyl 2-[5-[2-[(5-methyl-[1,2,4]triazino[5,6- b]indol-3-yl)sulfanyl]butanoylamino]-1,3,4-th iadiazol-2-yl]acetate
  • MW: 471.556 | Formula: C20H21N7O3S2
  • H donors: 1 H acceptors: 7 LogP: 2.68 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cc1nnc(s1)NC(=O)C(Sc1nnc2c(n1)n(C)c1c2cccc1)CC
  • InChi: 1S/C20H21N7O3S2/c1-4-13(18(29)22-20-25-23-14(32-20)10-15(28)30-5-2)31-19-21-17-16(24-26-19)11-8-6-7-9-12(11)27(17)3/h6-9,13H,4-5,10H2,1-3H3,(H,22,25,29)
  • InChiKey: XICNUUJMMQQYKH-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 2-[5-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxobutyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester
  • 2-[5-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]butanoylamino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester
  • ethyl 2-[5-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-1,3,4-thiadiazol-2-yl]ethanoate
  • TimTec1_006206
  • MLS000050813
  • SMR000078440
  • ethyl [5-({2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]butanoyl}amino)-1,3,4-thiadiazol-2-yl]acetate
  • MLS000863091
  • A2990/0125969

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni eyes absent homolog 0.0106 0.1198 0.1537
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0298 0.0383
Schistosoma mansoni hypothetical protein 0.0036 0.0322 0.0413
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0639 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0244 0.2909 0.373
Loa Loa (eye worm) hypothetical protein 0.0106 0.1198 0.1537
Echinococcus granulosus sodium and chloride dependent glycine 0.0108 0.1218 0.1562
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0631 0.0809
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0561 0.0719
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0108 0.1218 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0429 0.6712
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0639 0.082
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0429 0.6712
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0429 0.6712
Echinococcus granulosus serotonin transporter 0.0636 0.7797 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.007 0.007
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0495 0.0635
Mycobacterium leprae Probable metal cation-transporting P-type ATPase C CtpC 0.001 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0639 0.1945
Brugia malayi glutaminase DH11.1 0.0274 0.3287 0.4215
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0108 0.1218 0.1562
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0156 0.363
Echinococcus multilocularis lamin 0.0027 0.021 0.021
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0156 0.02
Schistosoma mansoni sodium/chloride dependent transporter 0.0636 0.7797 1
Trypanosoma brucei protein kinase, putative 0.0062 0.0639 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0429 0.6712
Toxoplasma gondii hypothetical protein 0.0108 0.1218 1
Brugia malayi hypothetical protein 0.0036 0.0322 0.0413
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0631 0.0809
Onchocerca volvulus 0.0108 0.1218 0.1562
Schistosoma mansoni sodium/chloride dependent transporter 0.0108 0.1218 0.1562
Onchocerca volvulus 0.0027 0.021 0.0269
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0636 0.7797 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.007 0.009
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0156 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0495 0.0635
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0013 0.0029 0.0037
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0035 0.0035
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0636 0.7797 1
Echinococcus multilocularis serotonin transporter 0.0636 0.7797 0.7797
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0639 0.0639
Plasmodium vivax hypothetical protein, conserved 0.0108 0.1218 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0631 0.0809
Onchocerca volvulus 0.0108 0.1218 0.1562
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0244 0.2909 0.373
Schistosoma mansoni ap endonuclease 0.0023 0.0156 0.02
Echinococcus granulosus lamin 0.0027 0.021 0.0269
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Schistosoma mansoni sodium-dependent amino acid transporter 0.0108 0.1218 0.1562
Onchocerca volvulus 0.0027 0.021 0.0269
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0108 0.1218 0.1562
Echinococcus multilocularis vesicular acetylcholine transporter 0.0244 0.2909 0.2909
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0429 0.0429
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0639 0.1945
Toxoplasma gondii hypothetical protein 0.0108 0.1218 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0156 0.0474
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0631 0.9872
Loa Loa (eye worm) hypothetical protein 0.0027 0.021 0.0269
Loa Loa (eye worm) glutaminase 2 0.0274 0.3287 0.4215
Onchocerca volvulus 0.0048 0.0475 0.0609
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0561 0.0561
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0429 0.1306
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0053 0.0068
Schistosoma mansoni lamin 0.0027 0.021 0.0269
Plasmodium falciparum transporter, putative 0.0108 0.1218 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0631 0.5182
Echinococcus granulosus intermediate filament protein 0.0027 0.021 0.0269
Plasmodium vivax amine transporter, putative 0.0108 0.1218 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0429 0.055
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0429 0.055
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0639 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0108 0.1218 0.1562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0561 0.0719
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0631 0.192
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0639 0.1945
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0156 0.1279
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0108 0.1218 0.1218
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0631 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.021 0.0269
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0561 0.0719
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0156 0.2436
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0429 0.0429
Schistosoma mansoni hypothetical protein 0.0016 0.007 0.009
Entamoeba histolytica hypothetical protein 0.0036 0.0322 0.7507
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0561 0.0719
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Loa Loa (eye worm) hypothetical protein 0.0636 0.7797 1
Entamoeba histolytica hypothetical protein 0.0036 0.0322 0.7507
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2826 0.2826
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0639 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.007 0.007
Echinococcus multilocularis sodium and chloride dependent glycine 0.0108 0.1218 0.1218
Schistosoma mansoni hypothetical protein 0.0034 0.0298 0.0383
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0322 0.0413
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0631 0.0631
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0156 0.02
Loa Loa (eye worm) hypothetical protein 0.0237 0.2826 0.3624
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.021 0.0269
Schistosoma mansoni lamin 0.0027 0.021 0.0269
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0639 1
Brugia malayi hypothetical protein 0.0106 0.1198 0.1537
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0631 0.192
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0108 0.1218 0.1562
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0561 0.0561
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0429 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0108 0.1218 0.1562
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0429 0.055
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0639 0.082
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Plasmodium falciparum amino acid transporter, putative 0.0108 0.1218 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0639 0.0639
Loa Loa (eye worm) norepinephrine transporter 0.0636 0.7797 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.007 0.007
Brugia malayi hypothetical protein 0.0108 0.1218 0.1562
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0561 0.0719
Loa Loa (eye worm) intermediate filament protein 0.0027 0.021 0.0269
Schistosoma mansoni intermediate filament proteins 0.0027 0.021 0.0269
Brugia malayi MAP kinase sur-1 0.0062 0.0639 0.082
Loa Loa (eye worm) serotonin transporter b 0.0636 0.7797 1
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2826 0.3624
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0156 0.2436
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.001 0 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0475 0.0609
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0108 0.1218 0.1562
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0639 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0475 0.0609
Loa Loa (eye worm) hypothetical protein 0.0027 0.0203 0.0261
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0108 0.1218 0.1218
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0053 0.0068
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0156 0.1279
Entamoeba histolytica hypothetical protein 0.0036 0.0322 0.7507
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0108 0.1218 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0561 0.0719
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.007 0.009
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0429 0.1306
Mycobacterium ulcerans glutaminase 0.0274 0.3287 1
Schistosoma mansoni hypothetical protein 0.0016 0.007 0.009
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0035 0.0045
Loa Loa (eye worm) hypothetical protein 0.0013 0.0029 0.0037
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.007 0.009
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.007 0.009
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0108 0.1218 0.1562
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0156 0.0474
Brugia malayi intermediate filament protein 0.0027 0.021 0.0269
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0156 0.2436
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0108 0.1218 0.1562
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0639 0.082
Brugia malayi Latrophilin receptor protein 2 0.0016 0.007 0.009
Loa Loa (eye worm) hypothetical protein 0.0106 0.1198 0.1537
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0156 0.02
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.007 0.009
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0156 0.2436
Loa Loa (eye worm) glutaminase 0.0274 0.3287 0.4215
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0639 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Loa Loa (eye worm) solute carrier family 6 member 4 0.0636 0.7797 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0495 0.0635
Echinococcus granulosus lamin dm0 0.0027 0.021 0.0269
Schistosoma mansoni hypothetical protein 0.0016 0.007 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0561 0.0719
Echinococcus multilocularis lamin dm0 0.0027 0.021 0.021
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0429 0.055
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0429 0.055
Schistosoma mansoni vesicular acetylcholine transporter 0.0244 0.2909 0.373
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Echinococcus multilocularis musashi 0.0027 0.021 0.021
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0429 0.6712
Echinococcus granulosus vesicular acetylcholine transporter 0.0244 0.2909 0.373
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0639 0.082
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0108 0.1218 0.1562
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0631 0.192
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0636 0.7797 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0639 0.5249
Echinococcus granulosus sodium and chloride dependent glycine 0.0108 0.1218 0.1562
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0156 0.0474
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0108 0.1218 0.1562
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0639 0.1945
Schistosoma mansoni ap endonuclease 0.0023 0.0156 0.02
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0429 0.055
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0156 0.2468
Trichomonas vaginalis glutaminase, putative 0.0274 0.3287 1
Schistosoma mansoni glutaminase 0.0274 0.3287 0.4215
Mycobacterium leprae PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB 0.001 0 0.5
Brugia malayi hypothetical protein 0.0237 0.2826 0.3624
Loa Loa (eye worm) hypothetical protein 0.0045 0.0429 0.055
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0244 0.2909 0.373
Echinococcus granulosus GPCR family 2 0.0016 0.007 0.009
Onchocerca volvulus 0.0636 0.7797 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0322 0.0322
Schistosoma mansoni sodium/chloride dependent transporter 0.0109 0.1225 0.1571
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0108 0.1218 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0156 0.02
Loa Loa (eye worm) hypothetical protein 0.0636 0.7797 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0108 0.1218 0.1218
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0639 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0035 0.0045
Schistosoma mansoni hypothetical protein 0.0016 0.007 0.009
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0495 0.0635
Onchocerca volvulus 0.0108 0.1218 0.1562
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0639 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0108 0.1218 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0636 0.7797 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0108 0.1218 0.1218
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0108 0.1218 0.1562
Loa Loa (eye worm) hypothetical protein 0.0108 0.1218 0.1562
Entamoeba histolytica hypothetical protein 0.0036 0.0322 0.7507
Toxoplasma gondii exonuclease III APE 0.0023 0.0156 0.1279
Schistosoma mansoni hypothetical protein 0.0048 0.0475 0.0609
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0429 0.1306
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0156 0.2436
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0108 0.1218 0.1562
Loa Loa (eye worm) hypothetical protein 0.0034 0.0298 0.0383
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0322 0.0413

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.9469 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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