Detailed information for compound 1443595

Basic information

Technical information
  • TDR Targets ID: 1443595
  • Name: N-butan-2-yl-5-[(3-fluorophenyl)methylsulfany lmethyl]furan-2-carboxamide
  • MW: 321.41 | Formula: C17H20FNO2S
  • H donors: 1 H acceptors: 1 LogP: 4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)c1ccc(o1)CSCc1cccc(c1)F)C
  • InChi: 1S/C17H20FNO2S/c1-3-12(2)19-17(20)16-8-7-15(21-16)11-22-10-13-5-4-6-14(18)9-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)
  • InChiKey: YCZSMWXUMBWTJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-sec-butyl-furan-2-carboxamide
  • 5-[[(3-fluorophenyl)methylthio]methyl]-N-sec-butyl-2-furancarboxamide
  • 5-[[(3-fluorobenzyl)thio]methyl]-N-sec-butyl-2-furamide
  • SMR000131623
  • MLS000521214

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Brugia malayi Inositol-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
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica myo-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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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 congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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 ap endonuclease 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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 inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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 exodeoxyribonuclease III family protein 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 DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis myo inositol monophosphatase, putative 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 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Treponema pallidum exodeoxyribonuclease (exoA) 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 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 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0651 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0617 0.0723
Leishmania major fatty-acid desaturase, putative 0.0359 1 1
Leishmania major fatty acid desaturase, putative 0.0049 0.0794 0.0794
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0651 0.8192
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0617 0.7771
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0049 0.0794 0.1048
Onchocerca volvulus 0.0049 0.0794 0.0189
Leishmania major delta-12 fatty acid desaturase 0.0049 0.0794 0.0794
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0617 0.7771
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0049 0.0794 0.0794
Schistosoma mansoni fatty acid desaturase 0.0049 0.0794 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0049 0.0794 0.0794
Loa Loa (eye worm) hypothetical protein 0.0043 0.0617 0.0723
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0651 0.8192
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0617 0.9486
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0049 0.0794 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0049 0.0794 1
Brugia malayi acyl-CoA desaturase 0.031 0.8531 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0651 0.8192
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0049 0.0794 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0512 0.0675
Leishmania major delta-4 fatty acid desaturase 0.0049 0.0794 0.0794
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0049 0.0794 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0651 0.0651
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0651 0.8192
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0651 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0617 0.0814
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0049 0.0794 0.0794
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0049 0.0794 0.0794
Loa Loa (eye worm) hypothetical protein 0.0043 0.0617 0.0723
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0617 0.0617
Loa Loa (eye worm) acyl-CoA desaturase 0.031 0.8531 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0617 0.0723
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0617 0.9486
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0617 0.7771
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.758 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0617 0.0814
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0049 0.0794 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0651 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0617 0.7771
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0617 0.0814
Loa Loa (eye worm) fatty acid desaturase 0.0049 0.0794 0.0931
Schistosoma mansoni inositol monophosphatase 0.0045 0.0651 0.8192
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Trypanosoma brucei delta-4 fatty acid desaturase 0.0049 0.0794 0.0794
Brugia malayi Delta5 fatty acid desaturase 0.0049 0.0794 0.0931
Brugia malayi beta-lactamase family protein 0.0043 0.0617 0.0723
Trichomonas vaginalis esterase, putative 0.0043 0.0617 0.9486
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0651 1
Leishmania major delta-6 fatty acid desaturase 0.0049 0.0794 0.0794
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0617 0.0723
Mycobacterium ulcerans hypothetical protein 0.0043 0.0617 0.7771
Mycobacterium tuberculosis Probable conserved membrane protein 0.0049 0.0794 0.1048
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0617 0.0814
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0617 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0049 0.0794 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0617 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0617 0.0814
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0651 0.0651
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0651 1
Leishmania major hypothetical protein, conserved 0.0043 0.0617 0.0617
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0049 0.0794 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0049 0.0794 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0617 0.0617
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0049 0.0794 0.0794
Trypanosoma brucei fatty acid desaturase, putative 0.0359 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0617 0.0814
Brugia malayi beta-lactamase 0.0043 0.0617 0.0723
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0049 0.0794 0.0794
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0049 0.0794 0.0794
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0617 0.0617
Leishmania major fatty acid desaturase, putative 0.0049 0.0794 0.0794
Onchocerca volvulus 0.0359 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0617 0.0814
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0049 0.0794 0.1048
Schistosoma mansoni inositol monophosphatase 0.0045 0.0651 0.8192
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0617 0.9486
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0617 0.7771
Brugia malayi Fatty acid desaturase family protein 0.0049 0.0794 0.0931
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0617 0.9486
Trypanosoma cruzi fatty acid desaturase, putative 0.031 0.8531 0.8531
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0049 0.0794 0.0794
Loa Loa (eye worm) hypothetical protein 0.0043 0.0617 0.0723
Loa Loa (eye worm) hypothetical protein 0.0043 0.0617 0.0723
Brugia malayi Fatty acid desaturase family protein 0.0049 0.0794 0.0931
Loa Loa (eye worm) hypothetical protein 0.0049 0.0794 0.0931
Trypanosoma cruzi fatty acid desaturase, putative 0.0359 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.031 0.8531 0.8531
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0049 0.0794 0.0794
Loa Loa (eye worm) inositol-1 0.0045 0.0651 0.0763
Onchocerca volvulus 0.0359 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0617 0.0723
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0651 0.0651
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0617 0.0814
Loa Loa (eye worm) FAT-3 protein 0.0049 0.0794 0.0931
Loa Loa (eye worm) beta-lactamase 0.0043 0.0617 0.0723
Leishmania major delta-5 fatty acid desaturase 0.0049 0.0794 0.0794
Trypanosoma cruzi fatty acid desaturase, putative 0.0049 0.0794 0.0794
Loa Loa (eye worm) hypothetical protein 0.0043 0.0617 0.0723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0651 0.0651
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0617 0.9486
Mycobacterium ulcerans hypothetical protein 0.0049 0.0794 1
Mycobacterium ulcerans electron transfer protein FdxB 0.0049 0.0794 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.031 0.8531 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0617 0.7771
Echinococcus granulosus Fatty acid desaturase type 1 0.0049 0.0794 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0617 0.7771
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0049 0.0794 1
Plasmodium falciparum stearoyl-CoA desaturase 0.031 0.8531 1
Loa Loa (eye worm) fatty acid desaturase 0.0049 0.0794 0.0931
Mycobacterium ulcerans hypothetical protein 0.0049 0.0794 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0617 0.7771
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0617 0.7771
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0617 0.0814
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0049 0.0794 0.0794
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0617 0.0814
Brugia malayi Inositol-1 0.0045 0.0651 0.0763
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0049 0.0794 0.0794
Brugia malayi beta-lactamase family protein 0.0043 0.0617 0.0723
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0049 0.0794 0.0794

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0708 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 25.1189 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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