Detailed information for compound 1268799

Basic information

Technical information
  • TDR Targets ID: 1268799
  • Name: methyl 2-[[5-[[(4-chlorophenyl)amino]methyl]- 4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl] acetate
  • MW: 402.898 | Formula: C19H19ClN4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CSc1nnc(n1Cc1ccccc1)CNc1ccc(cc1)Cl
  • InChi: 1S/C19H19ClN4O2S/c1-26-18(25)13-27-19-23-22-17(11-21-16-9-7-15(20)8-10-16)24(19)12-14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3
  • InChiKey: GRWGCNYYLRFRIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
  • 2-[[4-(benzyl)-5-[[(4-chlorophenyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
  • methyl 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
  • Oprea1_248791
  • BAS 02750392
  • Oprea1_578402
  • ZINC00877955
  • AG-690/40700430
  • MLS000030914
  • SMR000011443
  • {4-Benzyl-5-[(4-chloro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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 japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0067 0.0271 0.8318
Echinococcus multilocularis shaker cognate 0.0067 0.0271 0.0468
Schistosoma mansoni transient receptor potential channel 0.0067 0.0271 0.8318
Echinococcus granulosus voltage gated hydrogen channel 1 0.0067 0.0271 0.8318
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0067 0.0271 0.9393
Echinococcus granulosus voltage dependent calcium channel 0.0067 0.0271 0.8318
Brugia malayi voltage-dependent calcium channel 0.0067 0.0271 0.8318
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.007 0.0288 0.8855
Echinococcus multilocularis hyperpolarization activated cyclic 0.0067 0.0271 0.0468
Echinococcus multilocularis ryanodine receptor 44f 0.0067 0.0271 0.0468
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.007 0.0288 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0325 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0067 0.0271 0.0468
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0325 0.0562
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0067 0.0271 0.8318
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0067 0.0271 0.9393
Entamoeba histolytica hypothetical protein 0.0043 0.0125 0.4353
Echinococcus granulosus transient receptor potential gamma protein 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0067 0.0271 0.0468
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0067 0.0271 0.9393
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0271 0.0468
Brugia malayi RNA binding protein 0.0076 0.0325 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0067 0.0271 0.8318
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0067 0.0271 0.8318
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0067 0.0271 0.8318
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0067 0.0271 0.8318
Loa Loa (eye worm) ion channel NompC 0.0067 0.0271 0.8318
Schistosoma mansoni calcium-activated potassium channel 0.0067 0.0271 0.8318
Toxoplasma gondii transporter, cation channel family protein 0.0067 0.0271 0.9393
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0325 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0067 0.0271 0.0468
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0067 0.0271 0.0468
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0067 0.0271 0.0468
Toxoplasma gondii hypothetical protein 0.0067 0.0271 0.9393
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0271 0.8318
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated ion channel 0.0067 0.0271 0.8318
Schistosoma mansoni vesicular amine transporter 0.0067 0.0271 0.8318
Echinococcus multilocularis voltage dependent calcium channel 0.0067 0.0271 0.0468
Echinococcus multilocularis transient receptor potential gamma protein 0.0067 0.0271 0.0468
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0271 0.8318
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0067 0.0271 0.8318
Echinococcus granulosus potassium large conductance calcium activated 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0067 0.0271 0.8318
Loa Loa (eye worm) ryanodine receptor 0.0067 0.0271 0.8318
Toxoplasma gondii transporter, cation channel family protein 0.0067 0.0271 0.9393
Echinococcus granulosus voltage dependent calcium channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0067 0.0271 0.9393
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Loa Loa (eye worm) voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0125 0.3855
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0067 0.0271 0.0468
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.007 0.0288 0.8855
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0067 0.0271 0.8318
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0067 0.0271 0.0468
Brugia malayi hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0067 0.0271 0.0468
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0271 0.0468
Echinococcus granulosus short transient receptor potential channel 6 0.0067 0.0271 0.8318
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0271 0.8318
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0271 0.8318
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0271 0.8318
Echinococcus multilocularis short transient receptor potential channel 6 0.0067 0.0271 0.0468
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0271 0.0468
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0067 0.0271 0.8318
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0.0271 0.9393
Schistosoma mansoni voltage-gated cation channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni 60S ribosomal protein L21 0.0067 0.0271 0.8318
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0271 0.8318
Echinococcus granulosus TRP transient receptor potential channel 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0067 0.0271 0.8318
Echinococcus multilocularis calcium activated potassium channel 0.0067 0.0271 0.0468
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0067 0.0271 0.8318
Echinococcus granulosus hyperpolarization activated cyclic 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0067 0.0271 0.0468
Echinococcus multilocularis voltage gated potassium channel 0.0067 0.0271 0.0468
Leishmania major hypothetical protein, conserved 0.0067 0.0271 0.9393
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus two pore calcium channel protein 2 0.0067 0.0271 0.8318
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus granulosus hypothetical protein 0.0067 0.0271 0.8318
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.007 0.0288 1
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.1676 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Entamoeba histolytica hypothetical protein 0.0043 0.0125 0.4353
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.007 0.0288 0.8855
Echinococcus granulosus calcium activated potassium channel 0.0067 0.0271 0.8318
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.007 0.0288 0.0498
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0067 0.0271 0.0468
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Brugia malayi TAR-binding protein 0.0076 0.0325 1
Echinococcus granulosus shaker cognate 0.0067 0.0271 0.8318
Echinococcus multilocularis sodium channel protein 0.0067 0.0271 0.0468
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0325 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0067 0.0271 0.8318
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.007 0.0288 1
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0067 0.0271 0.0468
Schistosoma mansoni transient receptor potential channel 0.0067 0.0271 0.8318
Echinococcus granulosus two pore calcium channel protein 1 0.0067 0.0271 0.8318
Brugia malayi olfactory channel protein osm-9 0.0067 0.0271 0.8318
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0067 0.0271 0.9393
Echinococcus granulosus hyperpolarization activated cyclic 0.0067 0.0271 0.8318
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0067 0.0271 0.8318
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni two-pore calcium channel 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0067 0.0271 0.0468
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0067 0.0271 0.8318
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0067 0.0271 0.0468
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0067 0.0271 0.8318
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0271 0.8318
Entamoeba histolytica hypothetical protein 0.0043 0.0125 0.4353
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0271 0.0468
Echinococcus granulosus potassium voltage gated channel protein 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0067 0.0271 0.9393
Schistosoma mansoni voltage-dependent calcium channel 0.0067 0.0271 0.8318
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0.0271 0.9393
Toxoplasma gondii hypothetical protein 0.0067 0.0271 0.9393
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium large conductance calcium activated 0.0067 0.0271 0.0468
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0067 0.0271 0.0468
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0067 0.0271 0.8318
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0271 0.0468
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0271 0.8318
Echinococcus multilocularis short transient receptor potential channel 6 0.0067 0.0271 0.0468
Schistosoma mansoni transient receptor potential channel 4 0.0067 0.0271 0.8318
Echinococcus multilocularis potassium voltage gated channel protein 0.0067 0.0271 0.0468
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0067 0.0271 0.8318
Loa Loa (eye worm) voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus multilocularis two pore calcium channel protein 1 0.0067 0.0271 0.0468
Schistosoma mansoni hypothetical protein 0.0067 0.0271 0.8318
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0067 0.0271 0.9393
Echinococcus granulosus voltage gated potassium channel 0.0067 0.0271 0.8318
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.007 0.0288 1
Echinococcus granulosus potassium voltage gated channel protein 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel protein 0.0067 0.0271 0.8318
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0067 0.0271 0.0468
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0067 0.0271 0.8318
Toxoplasma gondii transporter, cation channel family protein 0.0067 0.0271 0.9393
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0067 0.0271 0.0468
Echinococcus multilocularis potassium voltage gated channel protein 0.0067 0.0271 0.0468
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0067 0.0271 0.8318
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0325 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0067 0.0271 0.8318
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0067 0.0271 0.8318
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0325 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0067 0.0271 0.8318
Leishmania major hypothetical protein, unknown function 0.0067 0.0271 0.9393
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus granulosus short transient receptor potential channel 6 0.0067 0.0271 0.8318
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0067 0.0271 0.0468
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.007 0.0288 1
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) calcium channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0325 1
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0067 0.0271 0.0468
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0067 0.0271 0.8318
Echinococcus multilocularis transfer RNA-Gly 0.0067 0.0271 0.0468
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.007 0.0288 0.0288
Echinococcus multilocularis voltage gated potassium channel 0.0067 0.0271 0.0468
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0271 0.8318
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0067 0.0271 0.8318
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0125 0.3855
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0067 0.0271 0.8318
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.007 0.0288 1
Brugia malayi ion channel NompC 0.0067 0.0271 0.8318
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0067 0.0271 0.8318
Echinococcus multilocularis two pore calcium channel protein 2 0.0067 0.0271 0.0468
Echinococcus granulosus sodium leak channel non selective protein 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus multilocularis transient receptor potential cation channel 0.0067 0.0271 0.0468
Schistosoma mansoni hypothetical protein 0.0043 0.0125 0.3855
Loa Loa (eye worm) hypothetical protein 0.007 0.0288 0.8855
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0637 0.3716 1
Schistosoma mansoni ryanodine receptor related 0.0067 0.0271 0.8318
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0067 0.0271 0.8318
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Echinococcus granulosus voltage gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0067 0.0271 0.8318
Echinococcus granulosus sodium channel protein 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0067 0.0271 0.8318
Loa Loa (eye worm) RNA binding protein 0.0076 0.0325 1
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0067 0.0271 0.8318
Brugia malayi cation channel family protein 0.0067 0.0271 0.8318
Loa Loa (eye worm) voltage-gated calcium channel 0.0067 0.0271 0.8318
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0067 0.0271 0.8318
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.007 0.0288 0.8855
Echinococcus granulosus potassium voltage gated channel protein 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus transient receptor potential cation channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) voltage-dependent calcium channel 0.0067 0.0271 0.8318
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0067 0.0271 0.0468
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0067 0.0271 0.8318
Brugia malayi hypothetical protein 0.0043 0.0125 0.3855
Onchocerca volvulus 0.007 0.0288 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Entamoeba histolytica hypothetical protein 0.0043 0.0125 0.4353
Brugia malayi Transient-receptor-potential like protein 0.0067 0.0271 0.8318
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel protein 0.0067 0.0271 0.8318
Echinococcus multilocularis hyperpolarization activated cyclic 0.0067 0.0271 0.0468
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Brugia malayi cation channel family protein 0.0067 0.0271 0.8318
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0067 0.0271 0.8318
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.5787 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.1676 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0325 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0125 0.0217
Echinococcus granulosus ryanodine receptor 44f 0.0067 0.0271 0.8318
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0325 1
Echinococcus multilocularis conserved hypothetical protein 0.0067 0.0271 0.0468
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Echinococcus multilocularis voltage dependent calcium channel 0.0067 0.0271 0.0468
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0325 1
Schistosoma mansoni transient receptor potential channel 0.0067 0.0271 0.8318
Echinococcus multilocularis sodium leak channel non selective protein 0.0067 0.0271 0.0468
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0637 0.3716 0.5
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.007 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0067 0.0271 0.8318
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.007 0.0288 1
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0271 0.8318
Loa Loa (eye worm) hypothetical protein 0.0067 0.0271 0.8318
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.007 0.0288 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.007 0.0288 1
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.1676 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0891 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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