Detailed information for compound 1333150

Basic information

Technical information
  • TDR Targets ID: 1333150
  • Name: [1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-c arbonyl)piperidin-3-yl]-(6-methoxynaphthalen- 2-yl)methanone
  • MW: 442.51 | Formula: C26H26N4O3
  • H donors: 0 H acceptors: 4 LogP: 3.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)C(=O)c1nn2c(c1)nc(cc2C)C
  • InChi: 1S/C26H26N4O3/c1-16-11-17(2)30-24(27-16)14-23(28-30)26(32)29-10-4-5-21(15-29)25(31)20-7-6-19-13-22(33-3)9-8-18(19)12-20/h6-9,11-14,21H,4-5,10,15H2,1-3H3
  • InChiKey: LIVFAXOZFUTTDH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-piperidyl]-(6-methoxy-2-naphthyl)methanone
  • [1-[(5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-3-piperidinyl]-(6-methoxy-2-naphthyl)methanone
  • [1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
  • MLS000732368
  • SMR000315593
  • {1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]piperidin-3-yl}(6-methoxy-2-naphthyl)methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1049 0.1049
Brugia malayi cathepsin F-like cysteine proteinase 0.0075 0.1049 0.1049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Onchocerca volvulus 0.0226 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.728 0.728
Plasmodium falciparum cysteine proteinase falcipain 1 0.0117 0.3516 0.3516
Echinococcus multilocularis cathepsin L cysteine protease 0.0226 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0183 0.0183
Brugia malayi Cathepsin L-like precursor 0.0075 0.1049 0.1049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0183 0.0183
Leishmania major cathepsin L-like protease 0.0226 1 1
Leishmania major cysteine peptidase A (CPA) 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0117 0.3516 0.2757
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Echinococcus multilocularis cysteine protease 0.0226 1 1
Leishmania major cathepsin L-like protease 0.0226 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0226 1 1
Onchocerca volvulus 0.0226 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.3516 0.3516
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1049 0.1049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.5579 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0075 0.1049 0.1049
Brugia malayi Cathepsin L-like precursor 0.0226 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.432 0.8342
Loa Loa (eye worm) hypothetical protein 0.0152 0.5579 0.5579
Entamoeba histolytica cysteine proteinase, putative 0.0226 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0226 1 1
Plasmodium vivax unspecified product 0.0117 0.3516 0.3516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.432 0.8342
Onchocerca volvulus 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Brugia malayi Cathepsin L-like precursor 0.0226 1 1
Brugia malayi Muscleblind-like protein 0.018 0.728 0.728
Onchocerca volvulus 0.0226 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.728 0.728
Brugia malayi Cathepsin L-like cysteine proteinase 0.0152 0.5579 0.5579
Plasmodium vivax vivapain-1 0.0117 0.3516 0.3516
Onchocerca volvulus 0.0226 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0152 0.5579 0.5579
Trypanosoma cruzi cysteine protease, putative 0.0117 0.3516 0.3516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.7403 0.7403
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0226 1 1
Onchocerca volvulus 0.0226 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.432 0.8342
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0117 0.3516 0.3516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0183 0.0183
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Onchocerca volvulus Cathepsin L homolog 0.0226 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0117 0.3516 0.3516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Entamoeba histolytica cysteine protease, putative 0.0226 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.432 0.8342
Trypanosoma cruzi cysteine peptidase, putative 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0226 1 1
Brugia malayi Cathepsin L-like precursor 0.0152 0.5579 0.5579
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0226 1 1
Echinococcus granulosus cathepsin L 0.0117 0.3516 0.3516
Leishmania major cathepsin L-like protease 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.5579 0.5579
Plasmodium vivax vivapain-2 0.0226 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.1049 0.1049
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.5178 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0117 0.3516 0.2757
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Leishmania major cathepsin L-like protease 0.0226 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0226 1 1
Brugia malayi cathepsin L-like precursor 0.0152 0.5579 0.5579
Brugia malayi hypothetical protein 0.0182 0.7403 0.7403
Echinococcus multilocularis cysteine protease 0.0226 1 1
Toxoplasma gondii cathepsin CPL 0.0226 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Echinococcus granulosus cysteine protease 0.0117 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.0075 0.1049 0.1049
Plasmodium vivax vivapain-2 0.0226 1 1
Leishmania major cathepsin L-like protease 0.0226 1 1
Onchocerca volvulus Cathepsin F homolog 0.0226 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.5178 1
Brugia malayi Cathepsin L-like precursor 0.0226 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0152 0.5579 0.5061
Leishmania major cathepsin L-like protease 0.0226 1 1
Brugia malayi Cathepsin L-like precursor 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.3516 0.3516
Leishmania major cathepsin L-like protease 0.0226 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1049 0.1049
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.728 0.728
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0183 0.0183
Entamoeba histolytica cysteine proteinase, putative 0.0152 0.5579 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.5178 1
Loa Loa (eye worm) ctsf protein 0.0226 1 1
Mycobacterium tuberculosis Probable reductase 0.013 0.432 0.8342
Leishmania major cathepsin L-like protease 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Plasmodium vivax vivapain-3 0.0117 0.3516 0.3516
Plasmodium falciparum cysteine proteinase falcipain 3 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Onchocerca volvulus 0.0226 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0226 1 1
Brugia malayi Cathepsin L-like precursor 0.0152 0.5579 0.5579
Schistosoma mansoni cathepsin F (C01 family) 0.0226 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0117 0.3516 0.2757
Trypanosoma cruzi cysteine proteinase, putative 0.0117 0.3516 0.3516
Loa Loa (eye worm) fibroinase 0.0226 1 1
Brugia malayi Cathepsin L-like precursor 0.0226 1 1
Echinococcus granulosus muscleblind protein 0.018 0.728 0.728
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.5178 1
Loa Loa (eye worm) cysteine protease 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.432 0.8342
Onchocerca volvulus 0.0182 0.7403 0.4126
Echinococcus multilocularis cathepsin L 0.0117 0.3516 0.3516
Echinococcus granulosus cathepsin L cysteine protease 0.0117 0.3516 0.3516
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0226 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0117 0.3516 0.3516
Echinococcus granulosus cathepsin l1 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.5579 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Echinococcus multilocularis muscleblind protein 0.018 0.728 0.728
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.3516 0.3516
Schistosoma mansoni cathepsin F (C01 family) 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.5579 0.5579
Trypanosoma cruzi cysteine proteinase, putative 0.0117 0.3516 0.3516
Plasmodium vivax unspecified product 0.0075 0.1049 0.1049
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0226 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0226 1 1
Onchocerca volvulus Cathepsin L homolog 0.0226 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0075 0.1049 0.1049
Echinococcus granulosus cathepsin l1 0.0152 0.5579 0.5579
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0226 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1585 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) 1.4716 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 31.6228 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) 56.2341 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

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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