Detailed information for compound 763780

Basic information

Technical information
  • TDR Targets ID: 763780
  • Name: N-[3-[3-(acenaphthene-5-carbonyl)piperidin-1- yl]-3-oxopropyl]acetamide
  • MW: 378.464 | Formula: C23H26N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NCCC(=O)N1CCCC(C1)C(=O)c1ccc2c3c1cccc3CC2
  • InChi: 1S/C23H26N2O3/c1-15(26)24-12-11-21(27)25-13-3-5-18(14-25)23(28)20-10-9-17-8-7-16-4-2-6-19(20)22(16)17/h2,4,6,9-10,18H,3,5,7-8,11-14H2,1H3,(H,24,26)
  • InChiKey: IIYCRQACAWFTBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-oxo-propyl]acetamide
  • N-[3-[3-(5-acenaphthenyl-oxomethyl)-1-piperidinyl]-3-oxopropyl]acetamide
  • N-[3-[3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-keto-propyl]acetamide
  • N-[3-(3-acenaphthen-5-ylcarbonylpiperidin-1-yl)-3-oxo-propyl]ethanamide
  • MLS000732746
  • SMR000316112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0066 0.0608 0.0919
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.07 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.07 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0054 0.0466 0.666
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0466 0.7668
Echinococcus multilocularis cyclin dependent kinase 0.0054 0.0466 0.2071
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0605 0.269
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trypanosoma brucei sugar transporter, putative 0.003 0.0201 0.2874
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0075 0.07 0.1058
Loa Loa (eye worm) hypothetical protein 0.0048 0.0398 0.1769
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.003 0.0201 0.5052
Leishmania major lysyl-tRNA synthetase, putative 0.0048 0.0398 0.5689
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0345 0.3731 0.564
Mycobacterium ulcerans integral membrane transport protein 0.003 0.0201 0.5052
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0066 0.0608 0.2701
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.07 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0466 0.2071
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.0201 0.0304
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0066 0.0608 0.2701
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0042 0.0333 0.1477
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.003 0.0201 0.6328
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Schistosoma mansoni hypothetical protein 0.0213 0.2251 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0054 0.0466 0.2071
Plasmodium falciparum protein kinase 7 0.0603 0.6616 0.6616
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0066 0.0608 0.8685
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.07 1
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Echinococcus granulosus cyclin dependent kinase 5 0.0054 0.0466 0.2071
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0318 0.5469
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0605 0.8651
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0466 0.2071
Onchocerca volvulus 0.003 0.0201 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.003 0.0201 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.003 0.0201 0.0894
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0054 0.0466 0.666
Plasmodium falciparum lysine--tRNA ligase 0.0048 0.0398 0.0398
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0466 0.7668
Onchocerca volvulus 0.003 0.0201 0.5
Chlamydia trachomatis lysine--tRNA ligase 0.0048 0.0398 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0048 0.0398 0.5689
Echinococcus multilocularis General substrate transporter 0.0183 0.1915 0.851
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Trichomonas vaginalis myo-inositol transporter, putative 0.003 0.0201 0.0894
Leishmania major glucose transporter, lmgt3 0.0066 0.0605 0.8651
Echinococcus granulosus muscleblind protein 0.018 0.1885 0.8375
Plasmodium falciparum mitogen-activated protein kinase 2 0.0345 0.3731 0.3731
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0605 0.269
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0466 0.666
Brugia malayi Sugar transporter family protein 0.003 0.0201 0.0894
Echinococcus multilocularis calcium dependent protein kinase 0.0061 0.0551 0.2448
Onchocerca volvulus 0.003 0.0201 0.5
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0466 0.2071
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Giardia lamblia Lysyl-tRNA synthetase 0.0048 0.0398 0.6849
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0066 0.0608 0.0919
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0318 1
Onchocerca volvulus 0.003 0.0201 0.5
Onchocerca volvulus 0.003 0.0201 0.5
Trypanosoma brucei cdc2-related kinase 3 0.0054 0.0466 0.666
Leishmania major protein kinase, putative 0.0066 0.0608 0.8685
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0581 0.2583
Plasmodium falciparum calcium-dependent protein kinase 2 0.0066 0.0608 0.0608
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0064 0.0581 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0066 0.0608 0.2701
Entamoeba histolytica protein kinase, putative 0.0066 0.0608 1
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0605 0.269
Echinococcus multilocularis Sugar transporter ERD6 protein 0.003 0.0201 0.0894
Brugia malayi Muscleblind-like protein 0.018 0.1885 0.8375
Trypanosoma brucei cdc2-related kinase 1 0.0054 0.0466 0.666
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.018 0.1885 0.8375
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Trichomonas vaginalis CAMK family protein kinase 0.0066 0.0608 0.2701
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Toxoplasma gondii lysine-tRNA ligase 0.0048 0.0398 0.0602
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Brugia malayi major facilitator superfamily protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Plasmodium vivax protein kinase Crk2 0.0054 0.0466 0.0466
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0345 0.3731 0.3731
Onchocerca volvulus 0.003 0.0201 0.5
Echinococcus multilocularis lysyl tRNA synthetase 0.0048 0.0398 0.1769
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0398 0.1769
Onchocerca volvulus 0.003 0.0201 0.5
Giardia lamblia Sugar-proton symporter 0.003 0.0201 0.346
Onchocerca volvulus 0.003 0.0201 0.5
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.003 0.0201 0.2874
Plasmodium vivax hexose transporter 0.0213 0.2251 0.2251
Plasmodium falciparum calcium-dependent protein kinase 3 0.0066 0.0608 0.0608
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0605 0.269
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase, putative 0.0066 0.0608 0.0608
Brugia malayi hypothetical protein 0.003 0.0201 0.0894
Plasmodium vivax lysine--tRNA ligase, putative 0.0048 0.0398 0.0398
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.016 0.0709
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0023 0.0119 0.2978
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0066 0.0608 0.0608
Echinococcus granulosus General substrate transporter 0.0183 0.1915 0.851
Onchocerca volvulus 0.003 0.0201 0.5
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Onchocerca volvulus 0.003 0.0201 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.1885 0.8375
Plasmodium vivax CDK-related protein kinase 6, putative 0.0905 1 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.004 0.0318 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Giardia lamblia Prolyl-tRNA synthetase 0.0064 0.0581 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0466 0.2071
Echinococcus granulosus Sugar transporter ERD6 protein 0.003 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Onchocerca volvulus 0.003 0.0201 0.5
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni glucose transport protein 0.0213 0.2251 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0581 0.2583
Loa Loa (eye worm) hypothetical protein 0.0066 0.0608 0.2701
Trypanosoma cruzi hexose transporter 0.0066 0.0605 0.8651
Plasmodium falciparum calcium-dependent protein kinase 5 0.0066 0.0608 0.0608
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0605 0.269
Echinococcus granulosus calcium dependent protein kinase 0.0061 0.0551 0.2448
Echinococcus multilocularis muscleblind protein 0.018 0.1885 0.8375
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0608 0.2701
Echinococcus multilocularis muscleblind protein 1 0.018 0.1885 0.8375
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.003 0.0201 0.5052
Trichomonas vaginalis glucose transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus cyclin dependent kinase 1 0.0054 0.0466 0.2071
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii facilitative glucose transporter GT1 0.0213 0.2251 0.3402
Leishmania major glucose transporter/membrane transporter D2, putative 0.0066 0.0605 0.8651
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0605 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0605 0.269
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Giardia lamblia Kinase, CMGC CDK 0.0054 0.0466 0.8018
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0398 0.1769
Schistosoma mansoni protein kinase 0.0066 0.0608 0.2701
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0064 0.0581 0.2583
Brugia malayi Protein kinase domain containing protein 0.0054 0.0466 0.2071
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0036 0.027 0.386
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0605 0.8651
Schistosoma mansoni glucose transport protein 0.0213 0.2251 1
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0605 0.269
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Plasmodium falciparum calcium-dependent protein kinase 4 0.0066 0.0608 0.0608
Schistosoma mansoni glucose transport protein 0.0213 0.2251 1
Leishmania major glucose transporter, lmgt1 0.0066 0.0605 0.8651
Brugia malayi hypothetical protein 0.003 0.0201 0.0894
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0605 0.8651
Mycobacterium ulcerans sugar transporter 0.003 0.0201 0.5052
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0048 0.0398 0.5689
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0398 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0466 0.2071
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0466 0.666
Brugia malayi hypothetical protein 0.003 0.0201 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0054 0.0466 0.0705
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0605 0.8651
Plasmodium vivax sugar transporter, putative 0.003 0.0201 0.0201
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0048 0.0398 0.6849
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.003 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0066 0.0608 0.0608
Loa Loa (eye worm) sugar transporter 0.0213 0.2251 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0581 0.2583
Leishmania major hypothetical protein, conserved 0.003 0.0201 0.2874
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Plasmodium falciparum proline--tRNA ligase 0.0075 0.07 0.07
Echinococcus granulosus cyclin dependent kinase 0.0054 0.0466 0.2071
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Brugia malayi Sugar transporter family protein 0.003 0.0201 0.0894
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0894
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0213 0.2251 1
Plasmodium falciparum hexose transporter 0.0213 0.2251 0.2251
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Brugia malayi Cam kinase protein 1 0.0066 0.0608 0.2701
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0201 0.0894
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.07 1
Trypanosoma cruzi sugar transporter, putative 0.003 0.0201 0.2874
Onchocerca volvulus 0.003 0.0201 0.5
Onchocerca volvulus 0.003 0.0201 0.5
Schistosoma mansoni protein kinase 0.0066 0.0608 0.2701
Trichomonas vaginalis conserved hypothetical protein 0.0213 0.2251 1
Toxoplasma gondii protein kinase, putative 0.0603 0.6616 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0066 0.0608 0.2701
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0066 0.0608 0.0608
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Echinococcus granulosus synaptic vesicle 2 protein 0.003 0.0201 0.0894
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0048 0.0398 0.1769
Toxoplasma gondii sugar transporter ST1 0.003 0.0201 0.0304
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0066 0.0608 0.0919
Echinococcus granulosus lysyl tRNA synthetase 0.0048 0.0398 0.1769
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.003 0.0201 0.2874
Onchocerca volvulus 0.003 0.0201 0.5
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0064 0.0581 0.2583
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0064 0.0581 0.9564
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Onchocerca volvulus Putative transporter 0.003 0.0201 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0447 0.1987
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0466 0.2071
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0398 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Brugia malayi Sugar transporter family protein 0.0213 0.2251 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0066 0.0608 0.0608
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0605 0.8651
Brugia malayi major facilitator superfamily protein 0.003 0.0201 0.0894
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0466 0.666
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0064 0.0581 0.2583
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0064 0.0581 0.2583
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis cyclin dependent kinase 5 0.0054 0.0466 0.2071
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0466 0.2071
Brugia malayi cell division control protein 2 homolog 0.0054 0.0466 0.2071
Chlamydia trachomatis proline--tRNA ligase 0.0023 0.0119 0.2978
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.003 0.0201 0.0201
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0581 0.2583
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Leishmania major myo-inositol/proton symporter (MIT) 0.003 0.0201 0.2874
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0466 0.2071
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) sugar transporter 0.003 0.0201 0.0894
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0894
Toxoplasma gondii sugar transporter ST2 0.003 0.0201 0.0304
Entamoeba histolytica protein kinase, putative 0.0066 0.0608 1
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0894
Toxoplasma gondii sugar transporter ST3 0.003 0.0201 0.0304
Brugia malayi lysyl-tRNA synthetase 0.0048 0.0398 0.1769
Entamoeba histolytica hypothetical protein 0.0048 0.0398 0.655
Giardia lamblia Hexose transporter 0.003 0.0201 0.346
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0608 0.2701
Loa Loa (eye worm) hypothetical protein 0.0049 0.0409 0.1816
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0466 0.2071
Trypanosoma brucei glucose transporter 2A 0.0066 0.0605 0.8651
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0213 0.2251 1
Schistosoma mansoni protein kinase 0.0066 0.0608 0.2701
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0064 0.0581 0.2583
Treponema pallidum prolyl-tRNA synthetase 0.0023 0.0119 1
Schistosoma mansoni glucose transporter 0.003 0.0201 0.0894
Onchocerca volvulus 0.003 0.0201 0.5
Trypanosoma cruzi glucose transporter, putative 0.003 0.0201 0.2874
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0466 0.2071
Trypanosoma brucei glucose transporter 1E 0.0066 0.0605 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Plasmodium falciparum protein kinase 5 0.0054 0.0466 0.0466
Trypanosoma brucei glucose transporter, putative 0.0066 0.0605 0.8651
Leishmania major glucose transporter, lmgt2 0.0066 0.0605 0.8651
Onchocerca volvulus 0.003 0.0201 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0466 0.666
Trichomonas vaginalis sugar transport protein, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Giardia lamblia Kinase, CMGC CDK 0.0054 0.0466 0.8018
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Plasmodium vivax proline--tRNA ligase, putative 0.0075 0.07 0.07
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.003 0.0201 0.6328

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) 15.8489 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) = 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 Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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