Detailed information for compound 1324228

Basic information

Technical information
  • TDR Targets ID: 1324228
  • Name: N-(1-phenylethyl)-3-[3,4,6-trimethyl-1-(4-met hylphenyl)pyrazolo[4,5-e]pyridin-5-yl]propana mide
  • MW: 426.553 | Formula: C27H30N4O
  • H donors: 1 H acceptors: 3 LogP: 5.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1ccccc1)C)CCc1c(C)nc2c(c1C)c(C)nn2c1ccc(cc1)C
  • InChi: 1S/C27H30N4O/c1-17-11-13-23(14-12-17)31-27-26(21(5)30-31)18(2)24(20(4)29-27)15-16-25(32)28-19(3)22-9-7-6-8-10-22/h6-14,19H,15-16H2,1-5H3,(H,28,32)
  • InChiKey: HHCDBIRXEVPJTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-phenylethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[4,5-e]pyridinyl]propanamide
  • N-(1-phenylethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[4,5-e]pyridin-5-yl]propionamide
  • C561-2014
  • NCGC00110163-01
  • MLS000522539
  • SMR000127806

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL 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
Giardia lamblia 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
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 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
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 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
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative 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
Brugia malayi Inositol-1 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
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum 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
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta 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
Cryptosporidium hominis importin-beta2 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
Entamoeba histolytica hypothetical protein 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
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni inositol monophosphatase 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
Trypanosoma brucei gambiense 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_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative 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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Importin subunit beta-1, 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
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense GTP-binding nuclear protein rtb2, 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis 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
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, 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
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 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
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein 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
Candida albicans karyopherin-beta 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
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
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
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 263 aa 24.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
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 %
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 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
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 diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Importin beta-1 subunit 0.0035 0.0057 0.0989
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1923 0.5743
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0105 0.0105
Plasmodium falciparum importin beta, putative 0.0035 0.0057 0.0989
Onchocerca volvulus 0.0129 0.0578 1
Brugia malayi jmjC domain containing protein 0.0071 0.0258 0.4457
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0021 0.1856
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0111 0.1926
Onchocerca volvulus 0.0043 0.0105 0.1818
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1403 0.1511
Brugia malayi amine oxidase, flavin-containing family protein 0.0129 0.0578 1
Schistosoma mansoni sphingoid long chain base kinase 0.0629 0.3349 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0129 0.0578 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0006 0.0108
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0314
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0129 0.0578 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0021 0.0358
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0258 0.0769
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1701 0.9286 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0006 0.0019
Echinococcus multilocularis snurportin 1 0.0372 0.1923 0.5743
Loa Loa (eye worm) hypothetical protein 0.0035 0.0057 0.0171
Trichomonas vaginalis esterase, putative 0.0043 0.0105 0.9441
Mycobacterium ulcerans dehydrogenase 0.0129 0.0578 0.0578
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0105 0.9441
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0111 0.1926
Schistosoma mansoni inositol monophosphatase 0.0045 0.0111 0.0332
Schistosoma mansoni sphingosine kinase A B 0.0629 0.3349 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0111 0.0332
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0129 0.0578 0.1726
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0258 0.0769
Echinococcus granulosus lysine specific histone demethylase 1A 0.0129 0.0578 0.1726
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0129 0.0578 0.1726
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0006 0.0019
Mycobacterium tuberculosis Conserved hypothetical protein 0.0129 0.0578 0.0622
Brugia malayi beta-lactamase family protein 0.0043 0.0105 0.1818
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0006 0.0108
Brugia malayi SWIRM domain containing protein 0.0129 0.0578 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0129 0.0578 0.0578
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0105 0.0113
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0006 0.0559
Entamoeba histolytica Ran family GTPase 0.0026 0.0006 0.0019
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0129 0.0578 0.1726
Onchocerca volvulus 0.0043 0.0105 0.1818
Loa Loa (eye worm) hypothetical protein 0.0629 0.3349 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0057 0.0989
Echinococcus multilocularis protoporphyrinogen oxidase 0.0129 0.0578 0.1726
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0258 0.0769
Mycobacterium ulcerans lipase LipD 0.0043 0.0105 0.0105
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0258 0.0769
Leishmania major UDP-galactopyranose mutase 0.0129 0.0578 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0314
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0111 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0111 0.0111
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0105 0.0113
Mycobacterium tuberculosis Conserved protein 0.0629 0.3349 0.3606
Echinococcus multilocularis sphingosine kinase 1 0.0629 0.3349 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0578 0.1726
Mycobacterium ulcerans oxidoreductase 0.0129 0.0578 0.0578
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0105 0.0314
Brugia malayi Inositol-1 0.0045 0.0111 0.1926
Mycobacterium tuberculosis Conserved protein 0.0043 0.0105 0.0113
Loa Loa (eye worm) hypothetical protein 0.0129 0.0578 0.1726
Plasmodium vivax importin-beta 2, putative 0.0035 0.0057 0.0989
Brugia malayi RNA, U transporter 1 0.0099 0.0413 0.714
Echinococcus granulosus lysine specific histone demethylase 1A 0.0129 0.0578 0.1726
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0105 0.0113
Mycobacterium ulcerans beta-lactamase 0.0043 0.0105 0.0105
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0006 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0111 0.1926
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0105 0.0105
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0057 0.5133
Entamoeba histolytica hypothetical protein 0.0028 0.0021 0.0062
Mycobacterium ulcerans hypothetical protein 0.0043 0.0105 0.0105
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0105 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0314
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0258 0.0769
Brugia malayi beta-lactamase family protein 0.0043 0.0105 0.1818
Leishmania major GTP-binding protein, putative 0.0026 0.0006 0.0108
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0105 0.0314
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0105 0.0314
Loa Loa (eye worm) beta-lactamase 0.0043 0.0105 0.0314
Plasmodium vivax hypothetical protein, conserved 0.0129 0.0578 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0021 0.1856
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0006 0.0108
Toxoplasma gondii histone lysine-specific demethylase 0.0129 0.0578 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0543 0.2872 0.3093
Onchocerca volvulus 0.0043 0.0105 0.1818
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0006 0.0019
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0111 0.0332
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0129 0.0578 1
Mycobacterium ulcerans monoamine oxidase 0.0129 0.0578 0.0578
Schistosoma mansoni ran 0.0026 0.0006 0.0019
Mycobacterium tuberculosis Possible oxidoreductase 0.0129 0.0578 0.0622
Echinococcus multilocularis 0.0129 0.0578 0.1726
Entamoeba histolytica hypothetical protein, conserved 0.0629 0.3349 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0105 0.0113
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0111 1
Schistosoma mansoni importin beta-1 0.0035 0.0057 0.0171
Echinococcus granulosus snurportin 1 0.0372 0.1923 0.5743
Trichomonas vaginalis ran, putative 0.0026 0.0006 0.0559
Schistosoma mansoni hypothetical protein 0.0372 0.1923 0.5743
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0006 0.0108
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0129 0.0578 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0111 1
Mycobacterium ulcerans hypothetical protein 0.0629 0.3349 0.3349
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0105 0.0113
Loa Loa (eye worm) inositol-1 0.0045 0.0111 0.0332
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0006 0.0108
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0314
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0314
Plasmodium vivax hypothetical protein, conserved 0.0129 0.0578 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0111 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0105 0.0314
Echinococcus granulosus sphingosine kinase 1 0.0629 0.3349 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0129 0.0578 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0129 0.0578 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0129 0.0578 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0105 0.9441
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0006 0.0108
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0543 0.2872 0.2872
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0129 0.0578 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0105 0.9441
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0105 0.0113
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0105 0.9441
Leishmania major importin beta-1 subunit, putative 0.0028 0.0021 0.0358
Schistosoma mansoni amine oxidase 0.0129 0.0578 0.1726
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0258 0.0769
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0111 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0111 0.1926
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0105 0.0399
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0258 0.0769
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0105 0.1818
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0021 0.1856
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0105 0.1818
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0258 0.0769
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0111 0.0332
Brugia malayi jmjC domain containing protein 0.0071 0.0258 0.4457
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0057 0.0171
Echinococcus granulosus importin subunit beta 1 0.0035 0.0057 0.0171
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0085 0.0092
Schistosoma mansoni amine oxidase 0.0129 0.0578 0.1726
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0314
Schistosoma mansoni inositol monophosphatase 0.0045 0.0111 0.0332
Mycobacterium tuberculosis Conserved protein 0.0043 0.0105 0.0113
Loa Loa (eye worm) hypothetical protein 0.0129 0.0578 0.1726
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0105 0.0314
Brugia malayi beta-lactamase 0.0043 0.0105 0.1818
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0057 0.5133
Toxoplasma gondii ABC1 family protein 0.0043 0.0105 0.1818
Mycobacterium leprae Probable lipase LipE 0.0043 0.0105 0.0399
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0105 0.9441
Plasmodium falciparum protoporphyrinogen oxidase 0.0129 0.0578 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0578 0.1726
Brugia malayi hypothetical protein 0.0129 0.0578 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0105 0.9441
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.183 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0105 0.1818
Loa Loa (eye worm) hypothetical protein 0.0129 0.0578 0.1726
Schistosoma mansoni ran 0.0026 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0129 0.0578 0.1726
Mycobacterium tuberculosis Conserved protein 0.0043 0.0105 0.0113
Trypanosoma cruzi UDP-galactopyranose mutase 0.0129 0.0578 1
Leishmania major hypothetical protein, conserved 0.0043 0.0105 0.1818
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0105 0.1818

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 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) 2.9093 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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