Detailed information for compound 374553

Basic information

Technical information
  • TDR Targets ID: 374553
  • Name: N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl] -2,1,3-benzothiadiazole-7-sulfonamide
  • MW: 422.909 | Formula: C17H15ClN4O3S2
  • H donors: 1 H acceptors: 5 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nsn2)C(=O)N1CCCC1
  • InChi: 1S/C17H15ClN4O3S2/c18-11-6-7-12(17(23)22-8-1-2-9-22)14(10-11)21-27(24,25)15-5-3-4-13-16(15)20-26-19-13/h3-7,10,21H,1-2,8-9H2
  • InChiKey: YYYILIJJOPZIKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-chloro-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-2,1,3-benzothiadiazole-7-sulfonamide
  • N-(5-chloro-2-pyrrolidin-1-ylcarbonyl-phenyl)-2,1,3-benzothiadiazole-7-sulfonamide
  • N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]piazthiole-4-sulfonamide
  • N-[5-chloro-2-(oxo-1-pyrrolidinylmethyl)phenyl]-2,1,3-benzothiadiazole-7-sulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholecystokinin A receptor Starlite/ChEMBL References
Homo sapiens cholecystokinin B receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
Brugia malayi sulfakinin receptor protein Get druggable targets OG5_132882 All targets in OG5_132882
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus rhodopsin orphan GPCR cholecystokinin A receptor 428 aa 373 aa 19.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei C-8 sterol isomerase, putative 0.2228 0.7649 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.0034
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.033 0.1108 0.1108
Plasmodium falciparum glutathione reductase 0.0046 0.013 1
Schistosoma mansoni hypothetical protein 0.0011 0.0009 0.0009
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0011 0.0011
Echinococcus multilocularis dna polymerase eta 0.0019 0.0034 0.0034
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0041 0.0315
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2911 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0026 0.0026
Mycobacterium tuberculosis Probable reductase 0.0106 0.0335 0.7472
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0033 0.0682
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0026 0.0167
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0047 0.0131 0.0131
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0011 0.0009 0.0009
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0034 0.0034
Loa Loa (eye worm) glutathione reductase 0.0046 0.013 0.013
Toxoplasma gondii thioredoxin reductase 0.0046 0.013 0.3036
Onchocerca volvulus 0.0029 0.0071 0.0071
Loa Loa (eye worm) glycogen phosphorylase 0.0315 0.1057 0.1057
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0033 0.1301
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0033 0.0235
Schistosoma mansoni DNA polymerase eta 0.0019 0.0034 0.0034
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0009
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0034 0.0251
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0041 0.0041
Brugia malayi sulfakinin receptor protein 0.0265 0.0884 0.0884
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0011 0.0009 0.0013
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0071 0.0071
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0335 0.7472
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0034 0.0034
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0032
Echinococcus granulosus glycogen phosphorylase 0.0315 0.1057 0.1057
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0026 0.0023
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0011 0.0009 0.0002
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0136 0.044 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0034 0.0034
Brugia malayi hypothetical protein 0.0265 0.0884 0.0884
Entamoeba histolytica glycogen phosphorylase, putative 0.0315 0.1057 1
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.0757 0.0757
Schistosoma mansoni protein arginine n-methyltransferase 0.0127 0.0407 0.0407
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0033
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0011 0.0009 0.0002
Brugia malayi hypothetical protein 0.0011 0.0009 0.0009
Echinococcus multilocularis geminin 0.033 0.1108 0.1108
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0033 0.0033
Brugia malayi hypothetical protein 0.0228 0.0757 0.0757
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0041 0.0315
Schistosoma mansoni glycogen phosphorylase 0.0136 0.044 0.044
Echinococcus granulosus dna polymerase eta 0.0019 0.0034 0.0034
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Echinococcus granulosus methyltransferase protein 5 0.0011 0.0009 0.0009
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0011 0.0009 0.0013
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0011 0.0009 0.0002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0335 0.7472
Leishmania major trypanothione reductase 0.0046 0.013 0.016
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2911 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.2911 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.0376 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.0034
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0034
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0026 0.0026
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0011 0.0009 0.0013
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0034 0.0212
Loa Loa (eye worm) hypothetical protein 0.0016 0.0027 0.0027
Echinococcus granulosus dna polymerase kappa 0.0019 0.0034 0.0034
Entamoeba histolytica glycogen phosphorylase, putative 0.0136 0.044 0.4118
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Plasmodium vivax SET domain protein, putative 0.0029 0.0071 0.4733
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0034 0.0034
Leishmania major DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Trichomonas vaginalis glycogen phosphorylase, putative 0.0315 0.1057 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0034 0.0212
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0033 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0071 0.1552
Onchocerca volvulus 0.0047 0.0131 0.0131
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0011 0.0009 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.0034
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.013 0.013
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0033
Trypanosoma cruzi protein arginine n-methyltransferase 7 0.0011 0.0009 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Schistosoma mansoni survival motor neuron protein 0.0047 0.0131 0.0131
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0033 0.0172
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0034 0.0034
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.013 0.2524
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0026 0.0023
Plasmodium vivax glutathione reductase, putative 0.0046 0.013 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Trypanosoma brucei trypanothione reductase 0.0046 0.013 0.016
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0034 0.0251
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.0675 0.0675
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Trypanosoma brucei unspecified product 0.0019 0.0034 0.0034
Loa Loa (eye worm) RecQ helicase 0.0021 0.0041 0.0041
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0335 0.7472
Loa Loa (eye worm) hypothetical protein 0.0029 0.0071 0.0071
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0265 0.0884 0.0884
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0335 0.7472
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0034 0.0251
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0033 1
Trypanosoma brucei protein arginine n-methyltransferase 7 0.0011 0.0009 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0071 0.0071
Onchocerca volvulus Glycogen phosphorylase homolog 0.0315 0.1057 0.1057
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0033 0.0235
Loa Loa (eye worm) hypothetical protein 0.2228 0.7649 0.7649
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0033 0.0033
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0033 0.0032
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0136 0.044 1
Leishmania major arginine N-methyltransferase, type I 0.0011 0.0009 0.0002
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0026 0.0023
Echinococcus granulosus Glycosyl transferase family 35 0.0315 0.1057 0.1057
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0034
Loa Loa (eye worm) Carm1-pending protein 0.0127 0.0407 0.0407
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0071 0.0071
Giardia lamblia Glycogen phosphorylase 0.0315 0.1057 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0011 0.0009 0.0009
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0011 0.0009 0.0002
Entamoeba histolytica glycogenphosphorylase, putative 0.0136 0.044 0.4118
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0026 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0011 0.0009 0.0013
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0033 0.0069
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0034 0.0034
Onchocerca volvulus 0.0233 0.0772 0.0772
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0335 0.7472
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0033 0.0033
Giardia lamblia DINP protein human, muc B family 0.0019 0.0034 0.0085
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.013 0.013
Brugia malayi Protein arginine N-methyltransferase 0.0011 0.0009 0.0009
Echinococcus multilocularis vesicular acetylcholine transporter 0.2911 1 1
Brugia malayi carbohydrate phosphorylase 0.0315 0.1057 0.1057
Echinococcus granulosus vesicular acetylcholine transporter 0.2911 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0026 0.0664
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.013 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0026 0.0167
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0026 0.0026
Plasmodium falciparum thioredoxin reductase 0.0046 0.013 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.013 0.016
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0071 0.0071
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0026 0.0664
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0014 0.0008
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0026 0.0023
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.0376 0.8455
Toxoplasma gondii exonuclease III APE 0.0018 0.0033 0.0586
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Echinococcus granulosus bloom syndrome protein 0.0021 0.0041 0.0041
Brugia malayi follicle stimulating hormone receptor 0.0231 0.0766 0.0766
Schistosoma mansoni hypothetical protein 0.033 0.1108 0.1108
Echinococcus granulosus geminin 0.033 0.1108 0.1108
Schistosoma mansoni glycogen phosphorylase 0.0315 0.1057 0.1057
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0034 0.0034
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0026 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Trypanosoma brucei unspecified product 0.0013 0.0014 0.0008
Entamoeba histolytica arginine N-methyltransferase 1, putative 0.0011 0.0009 0.0013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Entamoeba histolytica hypothetical protein 0.0011 0.0009 0.0013
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0018 0.0205
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0034 0.0212
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0011 0.0011
Entamoeba histolytica glycogen phosphorylase, putative 0.0315 0.1057 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0014 0.0008
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0026 0.0026
Brugia malayi glutathione reductase 0.0046 0.013 0.013
Echinococcus granulosus glycogen phosphorylase 0.0315 0.1057 0.1057
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0033 0.0172
Trypanosoma cruzi arginine N-methyltransferase, type III 0.0011 0.0009 0.0002
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0026 0.0023
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0034 0.0212
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0026 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0071 0.0071
Schistosoma mansoni glycogen phosphorylase 0.0315 0.1057 0.1057
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Echinococcus multilocularis glycogen phosphorylase 0.0315 0.1057 0.1057
Echinococcus multilocularis glycogen phosphorylase 0.0315 0.1057 0.1057
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0011 0.0009 0.0002
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0026 0.0023
Onchocerca volvulus 0.0115 0.0368 0.0368
Trichomonas vaginalis glycogen phosphorylase, putative 0.0315 0.1057 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.0757 0.0757
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0033 0.0235
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.0376 0.8455
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.0766 0.0766
Brugia malayi Pre-SET motif family protein 0.0029 0.0071 0.0071
Chlamydia trachomatis glycogen phosphorylase 0.0315 0.1057 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0068 0.0068
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2228 0.7649 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.0034
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0228 0.0757 0.0757
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0026 0.0406
Brugia malayi Pre-SET motif family protein 0.0204 0.0675 0.0675
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0127 0.0407 1
Loa Loa (eye worm) hypothetical protein 0.1139 0.3895 0.3895
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.013 0.013
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0034 0.0034
Brugia malayi Carm1-pending protein 0.0127 0.0407 0.0407
Trypanosoma brucei unspecified product 0.0013 0.0014 0.0008
Trichomonas vaginalis set domain proteins, putative 0.0233 0.0772 0.7283
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0127 0.0407 0.0407
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0034 0.0034
Leishmania major DNA polymerase eta, putative 0.0019 0.0034 0.0034
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0033 0.0032
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0026 0.0406
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.0376 0.8455
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0033 0.0663
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0032
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0127 0.0407 0.0407
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0026 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0014 0.0008
Leishmania major C-8 sterol isomerase-like protein 0.2228 0.7649 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0315 0.1057 0.1057
Brugia malayi Thioredoxin reductase 0.0046 0.013 0.013
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0033 0.0033
Entamoeba histolytica glycogen phosphorylase, putative 0.0136 0.044 0.4118
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0071 0.0071
Echinococcus granulosus protein arginine N methyltransferase 7 0.0011 0.0009 0.0009
Brugia malayi ERG2 and Sigma1 receptor like protein 0.2228 0.7649 0.7649
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0026 0.0023

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -6.6 Displacement of [125I]CCK-8S from human CCK2R ChEMBL. 17034143
Ki (binding) < -5 Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Ki (binding) > 10 uM Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Ki (binding) > 10 uM Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Log Ki (binding) < 5 Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Log Ki (binding) = 6.6 Displacement of [125I]CCK-8S from human CCK2R ChEMBL. 17034143

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

1 literature reference was collected for this gene.

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