Detailed information for compound 1382902

Basic information

Technical information
  • TDR Targets ID: 1382902
  • Name: 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[ 1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl] -N-(2-morpholin-4-ylethyl)acetamide
  • MW: 454.588 | Formula: C23H30N6O2S
  • H donors: 1 H acceptors: 4 LogP: 3.04 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nn2c(n1)nc(c(c2C)Cc1ccc(cc1)C)C)NCCN1CCOCC1
  • InChi: 1S/C23H30N6O2S/c1-16-4-6-19(7-5-16)14-20-17(2)25-22-26-23(27-29(22)18(20)3)32-15-21(30)24-8-9-28-10-12-31-13-11-28/h4-7H,8-15H2,1-3H3,(H,24,30)
  • InChiKey: MPDLOOMXMLKVTF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(2-morpholinoethyl)acetamide
  • 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide
  • 2-[[5,7-dimethyl-6-(4-methylbenzyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide
  • 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)ethanamide
  • MLS000519899
  • SMR000130314

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0045 0.0196
Loa Loa (eye worm) hypothetical protein 0.0036 0.0669 0.0669
Schistosoma mansoni inositol monophosphatase 0.0045 0.0965 0.0924
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0735 0.3191
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0735 0.7183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1207 0.5241
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.1009
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.5505 1
Schistosoma mansoni ran 0.0022 0.0231 0.0187
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0735 0.0693
Brugia malayi intermediate filament protein 0.0028 0.0427 0.1854
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0735 0.0693
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0735 0.0814
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0045 0.0196
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.5505 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.7348 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0735 0.1094
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0321 1 1
Echinococcus granulosus lamin 0.0028 0.0427 0.0383
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0735 0.1094
Leishmania major GTP-binding protein, putative 0.0022 0.0231 0.1009
Plasmodium falciparum importin beta, putative 0.003 0.049 1
Brugia malayi beta-lactamase 0.0038 0.0735 0.3191
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0231 0.0187
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.036 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1207 0.5241
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.036 0.0395
Loa Loa (eye worm) hypothetical protein 0.0016 0.0045 0.0045
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0427 0.0427
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0427 0.0383
Echinococcus multilocularis lamin dm0 0.0028 0.0427 0.0383
Schistosoma mansoni ran 0.0022 0.0231 0.0187
Mycobacterium ulcerans hypothetical protein 0.0038 0.0735 0.1094
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0321 1 1
Schistosoma mansoni importin beta-1 0.003 0.049 0.0447
Echinococcus multilocularis importin subunit beta 1 0.003 0.049 0.0447
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0735 0.0814
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0735 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0305 0.0291
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0965 1
Echinococcus granulosus ornithine aminotransferase 0.0026 0.036 0.0316
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0735 0.0693
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0735 0.1094
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.049 0.4188
Onchocerca volvulus 0.0038 0.0735 1
Mycobacterium ulcerans hypothetical protein 0.0184 0.5505 1
Echinococcus multilocularis lamin 0.0028 0.0427 0.0383
Entamoeba histolytica Ran family GTPase 0.0022 0.0231 0.1009
Entamoeba histolytica hypothetical protein 0.0024 0.0305 0.1911
Brugia malayi beta-lactamase family protein 0.0038 0.0735 0.3191
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0735 0.1094
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.036 0.0395
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0735 0.7183
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0735 0.7183
Echinococcus multilocularis snurportin 1 0.0321 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0149 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0735 0.1094
Mycobacterium ulcerans lipase LipD 0.0038 0.0735 0.1094
Brugia malayi Inositol-1 0.0045 0.0965 0.419
Echinococcus multilocularis musashi 0.0028 0.0427 0.0383
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0149 0.0149
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.5505 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0965 0.1524
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0149 0.0104
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.036 0.0395
Schistosoma mansoni ap endonuclease 0.002 0.0149 0.0104
Mycobacterium leprae Probable lipase LipE 0.0038 0.0735 0.0728
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0965 1
Schistosoma mansoni lamin 0.0028 0.0427 0.0383
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0231 0.1404
Plasmodium falciparum ornithine aminotransferase 0.0026 0.036 0.6189
Echinococcus granulosus Aminotransferase class III 0.0026 0.036 0.0316
Leishmania major hypothetical protein, conserved 0.0038 0.0735 0.7183
Onchocerca volvulus 0.0038 0.0735 1
Brugia malayi RNA, U transporter 1 0.0086 0.2303 1
Echinococcus multilocularis Aminotransferase class III 0.0026 0.036 0.0316
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.5505 0.7439
Leishmania major importin beta-1 subunit, putative 0.0024 0.0305 0.1911
Loa Loa (eye worm) hypothetical protein 0.003 0.049 0.049
Toxoplasma gondii ABC1 family protein 0.0038 0.0735 0.7183
Loa Loa (eye worm) hypothetical protein 0.0028 0.041 0.041
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.5505 0.7439
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0305 0.0291
Mycobacterium tuberculosis Conserved protein 0.0038 0.0735 0.0814
Loa Loa (eye worm) hypothetical protein 0.0052 0.1207 0.1207
Trichomonas vaginalis ran, putative 0.0022 0.0231 0.0154
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0231 0.1009
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.036 0.3609
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.036 0.0395
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.036 0.0294
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0965 0.1524
Brugia malayi beta-lactamase family protein 0.0038 0.0735 0.3191
Loa Loa (eye worm) beta-lactamase 0.0038 0.0735 0.0735
Mycobacterium tuberculosis Conserved protein 0.0038 0.0735 0.0814
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0735 0.0728
Loa Loa (eye worm) inositol-1 0.0045 0.0965 0.0965
Schistosoma mansoni ap endonuclease 0.002 0.0149 0.0104
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0735 0.0814
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.036 0.0294
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.036 0.0316
Schistosoma mansoni inositol monophosphatase 0.0045 0.0965 0.0924
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0149 0.0645
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0735 0.0814
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.036 0.0316
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0965 0.0924
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0735 0.0693
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.036 0.0294
Mycobacterium ulcerans beta-lactamase 0.0038 0.0735 0.1094
Trichomonas vaginalis esterase, putative 0.0038 0.0735 0.1094
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.036 0.0395
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.0231
Onchocerca volvulus 0.0038 0.0735 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0427 0.1854
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0231 0.0187
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.036 0.0294
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.049 0.4188
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0965 0.1524
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0735 0.0814
Plasmodium vivax importin-beta 2, putative 0.003 0.049 0.5831
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.049 0.4188
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0427 0.0427
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0669 0.2906
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0965 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0812 0.0921
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0965 0.0924
Mycobacterium tuberculosis Conserved protein 0.0038 0.0735 0.0814
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.1009
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.036 0.1564
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0965 0.1524
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0735 0.1094
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0305 0.1911
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0735 0.0814
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0812 0.0878
Schistosoma mansoni hypothetical protein 0.0036 0.0669 0.0627
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0149 0.0104
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0735 0.0814
Brugia malayi Importin beta-1 subunit 0.003 0.049 0.213
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.2408
Schistosoma mansoni lamin 0.0028 0.0427 0.0383
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0735 0.1094
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.036 0.2592
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.036 0.0316
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.1003
Loa Loa (eye worm) hypothetical protein 0.0028 0.0427 0.0427
Echinococcus granulosus intermediate filament protein 0.0028 0.0427 0.0383
Echinococcus granulosus importin subunit beta 1 0.003 0.049 0.0447
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.036 0.0395
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1207 0.1207
Echinococcus granulosus lamin dm0 0.0028 0.0427 0.0383
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.036 0.2592
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0305 0.0291
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.1009

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 12.57 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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