Detailed information for compound 1341716

Basic information

Technical information
  • TDR Targets ID: 1341716
  • Name: N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phen yl]-3-methylbenzamide
  • MW: 389.447 | Formula: C23H23N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C23H23N3O3/c1-17-4-2-5-18(16-17)22(27)24-19-7-9-20(10-8-19)25-11-13-26(14-12-25)23(28)21-6-3-15-29-21/h2-10,15-16H,11-14H2,1H3,(H,24,27)
  • InChiKey: NPAOIHOLGHORQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methyl-benzamide
  • N-[4-[4-(2-furyl-oxomethyl)-1-piperazinyl]phenyl]-3-methylbenzamide
  • N-[4-(4-furan-2-ylcarbonylpiperazin-1-yl)phenyl]-3-methyl-benzamide
  • ZINC00810014
  • BAS 07537535
  • N-{4-[4-(Furan-2-carbonyl)-piperazin-1-yl]-phenyl}-3-methyl-benzamide
  • T5261574

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ran, putative 0.0026 0.007 0.3715
Loa Loa (eye worm) hypothetical protein 0.0043 0.0189 0.0796
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0653
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0242 0.1967
Entamoeba histolytica hypothetical protein 0.0043 0.0189 0.7822
Schistosoma mansoni hypothetical protein 0.0043 0.0189 0.0189
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0242 0.0279
Mycobacterium tuberculosis Conserved hypothetical protein 0.02 0.1229 0.1417
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.003 0.0097 0.0409
Onchocerca volvulus 0.0043 0.0189 0.154
Mycobacterium ulcerans oxidoreductase 0.02 0.1229 0.1229
Schistosoma mansoni intermediate filament proteins 0.003 0.0101 0.0101
Brugia malayi beta-lactamase 0.0043 0.0189 0.154
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.007 0.0572
Echinococcus granulosus geminin 0.0205 0.1263 0.1456
Onchocerca volvulus 0.0043 0.0189 0.154
Echinococcus multilocularis lysine specific histone demethylase 1A 0.02 0.1229 0.1229
Brugia malayi hypothetical protein 0.0043 0.0189 0.1538
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0242 0.1967
Loa Loa (eye worm) hypothetical protein 0.003 0.0101 0.0425
Brugia malayi RNA, U transporter 1 0.0099 0.0559 0.4552
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0653
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.007 0.3715
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.02 0.1229 0.1229
Leishmania major UDP-galactopyranose mutase 0.02 0.1229 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0051 0.0242 0.0279
Loa Loa (eye worm) hypothetical protein 0.0043 0.0189 0.0796
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0155 0.0155
Trichomonas vaginalis esterase, putative 0.0043 0.0189 1
Mycobacterium ulcerans monoamine oxidase 0.02 0.1229 0.1229
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0141 0.0163
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0653
Trypanosoma cruzi UDP-galactopyranose mutase 0.02 0.1229 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0088 0.4633
Echinococcus granulosus microtubule associated protein 2 0.0721 0.4704 0.5425
Loa Loa (eye worm) hypothetical protein 0.0043 0.0189 0.0796
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0007 0.0031
Mycobacterium ulcerans hypothetical protein 0.0043 0.0189 0.0189
Echinococcus multilocularis geminin 0.0205 0.1263 0.1263
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0141 0.0163
Echinococcus multilocularis lamin dm0 0.003 0.0101 0.0101
Mycobacterium tuberculosis Conserved protein 0.0043 0.0189 0.0218
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0189 0.0189
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0653
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.02 0.1229 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.007 0.0572
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0051 0.0242 0.0242
Onchocerca volvulus 0.003 0.0101 0.0821
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0141 0.0163
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0051 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.02 0.1229 0.5171
Trypanosoma cruzi UDP-galactopyranose mutase 0.02 0.1229 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0189 0.0189
Mycobacterium tuberculosis Possible oxidoreductase 0.02 0.1229 0.1417
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.0155 0.1263
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0189 0.0189
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0189 0.0189
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0132 0.1071
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0189 0.154
Plasmodium vivax importin-beta 2, putative 0.0035 0.0132 0.1071
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0189 0.0218
Schistosoma mansoni hypothetical protein 0.0372 0.2376 0.2376
Entamoeba histolytica hypothetical protein 0.0043 0.0189 0.7822
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.007 0.0296
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.007 0.0572
Mycobacterium tuberculosis Conserved protein 0.0043 0.0189 0.0218
Loa Loa (eye worm) hypothetical protein 0.02 0.1229 0.5171
Mycobacterium ulcerans lipase LipD 0.0043 0.0189 0.0189
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0101 0.0425
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0101 0.0821
Echinococcus multilocularis snurportin 1 0.0372 0.2376 0.2376
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0189 0.0218
Schistosoma mansoni ran 0.0026 0.007 0.007
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0189 0.0218
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0051 0.0242 0.1017
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2376 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0189 0.0218
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0189 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.007 0.0572
Onchocerca volvulus 0.0043 0.0189 0.154
Brugia malayi intermediate filament protein 0.003 0.0101 0.0821
Toxoplasma gondii ABC1 family protein 0.0043 0.0189 0.154
Mycobacterium ulcerans beta-lactamase 0.0043 0.0189 0.0189
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.02 0.1229 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0189 0.0796
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.175 0.2018
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0189 0.0189
Brugia malayi hypothetical protein 0.02 0.1229 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0242 0.1017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0141 0.0163
Leishmania major importin beta-1 subunit, putative 0.0028 0.0088 0.0714
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0088 0.4633
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.0242 0.0242
Entamoeba histolytica hypothetical protein 0.0028 0.0088 0.3628
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0155 0.0653
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0189 1
Plasmodium falciparum protoporphyrinogen oxidase 0.02 0.1229 1
Mycobacterium ulcerans dehydrogenase 0.02 0.1229 0.1229
Loa Loa (eye worm) hypothetical protein 0.02 0.1229 0.5171
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0189 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.1516 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.02 0.1229 0.5171
Echinococcus granulosus lamin dm0 0.003 0.0101 0.0116
Entamoeba histolytica acyl-CoA synthetase, putative 0.0051 0.0242 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0132 0.6952
Brugia malayi AMP-binding enzyme family protein 0.0051 0.0242 0.1967
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0189 0.0796
Entamoeba histolytica Ran family GTPase 0.0026 0.007 0.2909
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0189 1
Echinococcus granulosus protoporphyrinogen oxidase 0.1317 0.8671 1
Brugia malayi SWIRM domain containing protein 0.02 0.1229 1
Loa Loa (eye worm) hypothetical protein 0.02 0.1229 0.5171
Schistosoma mansoni hypothetical protein 0.0205 0.1263 0.1263
Echinococcus multilocularis lamin 0.003 0.0101 0.0101
Schistosoma mansoni microtubule-associated protein tau 0.0721 0.4704 0.4704
Loa Loa (eye worm) hypothetical protein 0.0043 0.0189 0.0796
Brugia malayi beta-lactamase family protein 0.0043 0.0189 0.154
Entamoeba histolytica hypothetical protein 0.0043 0.0189 0.7822
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0189 0.154
Loa Loa (eye worm) hypothetical protein 0.0035 0.0132 0.0554
Onchocerca volvulus 0.0051 0.0242 0.1967
Schistosoma mansoni lamin 0.003 0.0101 0.0101
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.1516 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.1516 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0721 0.4704 0.4704
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0088 0.4633
Mycobacterium leprae Probable lipase LipE 0.0043 0.0189 0.0189
Leishmania major hypothetical protein, conserved 0.0043 0.0189 0.154
Loa Loa (eye worm) intermediate filament protein 0.003 0.0101 0.0425
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.007 0.0572
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.007 0.0572
Schistosoma mansoni ran 0.0026 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0189 0.0796
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.007 0.007
Schistosoma mansoni amine oxidase 0.02 0.1229 0.1229
Echinococcus multilocularis musashi 0.003 0.0101 0.0101
Onchocerca volvulus 0.003 0.0101 0.0821
Plasmodium vivax hypothetical protein, conserved 0.02 0.1229 1
Echinococcus granulosus intermediate filament protein 0.003 0.0101 0.0116
Schistosoma mansoni hypothetical protein 0.0205 0.1263 0.1263
Echinococcus granulosus snurportin 1 0.0372 0.2376 0.274
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.02 0.1229 0.1229
Entamoeba histolytica hypothetical protein 0.0043 0.0189 0.7822
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0189 0.0218
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.0242 0.0242
Echinococcus granulosus lysine specific histone demethylase 1A 0.02 0.1229 0.1417
Echinococcus multilocularis 0.02 0.1229 0.1229
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0189 1
Schistosoma mansoni importin beta-1 0.0035 0.0132 0.0132
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.02 0.1229 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0155 0.0179
Plasmodium vivax protoporphyrinogen oxidase, putative 0.02 0.1229 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.02 0.1229 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.0242 0.1967
Echinococcus granulosus lysine specific histone demethylase 1A 0.02 0.1229 0.1417
Mycobacterium ulcerans protoporphyrinogen oxidase 0.1516 1 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0132 0.0152
Entamoeba histolytica acyl-CoA synthetase, putative 0.0051 0.0242 1
Plasmodium falciparum importin beta, putative 0.0035 0.0132 0.1071
Schistosoma mansoni Lysine-specific histone demethylase 1 0.02 0.1229 0.1229
Echinococcus granulosus lamin 0.003 0.0101 0.0116
Loa Loa (eye worm) hypothetical protein 0.02 0.1229 0.5171
Plasmodium vivax hypothetical protein, conserved 0.02 0.1229 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.0242 0.1967
Toxoplasma gondii histone lysine-specific demethylase 0.02 0.1229 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0051 0.0242 0.1017
Mycobacterium ulcerans hypothetical protein 0.0051 0.0242 0.0242
Entamoeba histolytica acyl-coA synthetase, putative 0.0051 0.0242 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0051 0.0242 0.0242
Brugia malayi beta-lactamase family protein 0.0043 0.0189 0.154
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0155 0.1263
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0088 0.0714
Brugia malayi Importin beta-1 subunit 0.0035 0.0132 0.1071
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1317 0.8671 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0189 0.0218
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0189 0.0218
Schistosoma mansoni amine oxidase 0.02 0.1229 0.1229
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0189 0.154
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0189 0.0189
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0189 0.0218
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0007 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0132 0.6952
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0189 0.154
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0051 0.0242 0.0242
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.0242 0.1967
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.007 0.0081
Leishmania major GTP-binding protein, putative 0.0026 0.007 0.0572
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.0242 0.0242
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0189 0.0189
Onchocerca volvulus 0.02 0.1229 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0189 0.0796
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0189 0.0218
Brugia malayi amine oxidase, flavin-containing family protein 0.02 0.1229 1
Schistosoma mansoni lamin 0.003 0.0101 0.0101
Mycobacterium tuberculosis Conserved protein 0.0043 0.0189 0.0218

Activities

Activity type Activity value Assay description Source 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) 0.7308 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 7.3753 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 18.3564 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) 89.1251 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

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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