Detailed information for compound 430090

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 540.646 | Formula: C29H33FN2O5S
  • H donors: 2 H acceptors: 4 LogP: 4.38 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(cc1)CC)[C@@H](C(O2)(C)C)O)Cc1ccccc1F
  • InChi: 1S/C29H33FN2O5S/c1-5-19-11-14-22(15-12-19)38(35,36)31-26-23-17-20(13-16-25(23)37-29(3,4)27(26)33)28(34)32(6-2)18-21-9-7-8-10-24(21)30/h7-17,26-27,31,33H,5-6,18H2,1-4H3/t26-,27+/m1/s1
  • InChiKey: RDQVJCDDJXYHEK-SXOMAYOGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, shaker-related subfamily, member 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04876 potassium voltage-gated channel, Shaker-related subfamily A, member, putative Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus granulosus potassium voltage gated channel subfamily A Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus multilocularis potassium voltage gated channel subfamily A Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus multilocularis potassium voltage gated channel protein Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum Potassium voltage-gated channel subfamily A member 5, putative Get druggable targets OG5_127659 All targets in OG5_127659
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit Get druggable targets OG5_127659 All targets in OG5_127659
Echinococcus granulosus potassium voltage gated channel protein Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_127659 All targets in OG5_127659
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127659 All targets in OG5_127659
Schistosoma japonicum Potassium voltage-gated channel protein Shaker, putative Get druggable targets OG5_127659 All targets in OG5_127659
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis voltage gated potassium channel potassium voltage-gated channel, shaker-related subfamily, member 5 613 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus glutamate receptor subunit protein glur 0.0534 0.1593 0.1593
Schistosoma mansoni cpg binding protein 0.0062 0.0137 0.0061
Onchocerca volvulus 0.0059 0.0127 0.2105
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0083 0.0201 0.0201
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.0265 0.0773
Toxoplasma gondii histone lysine-specific demethylase 0.0083 0.0201 0.5376
Trypanosoma brucei trypanothione reductase 0.005 0.0098 0.5
Echinococcus granulosus glutamate receptor 2 0.1314 0.4005 0.4005
Loa Loa (eye worm) glutamate receptor 0.0187 0.0522 0.1521
Loa Loa (eye worm) hypothetical protein 0.0083 0.0201 0.0586
Plasmodium falciparum thioredoxin reductase 0.005 0.0098 0.4829
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0086 0.0085
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0021 0.0054
Trypanosoma cruzi extracellular receptor, putative 0.0187 0.0522 1
Schistosoma mansoni glutamate receptor kainate 0.1127 0.3428 0.3377
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.0296 0.088
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0127 0.0368
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0021 0.0054
Echinococcus granulosus metabotropic glutamate receptor 2 0.0187 0.0522 0.0521
Brugia malayi CXXC zinc finger family protein 0.0059 0.0127 0.037
Mycobacterium ulcerans dehydrogenase 0.0083 0.0201 0.0555
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1314 0.4005 0.4005
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0201 1
Mycobacterium tuberculosis Probable reductase 0.0114 0.0296 0.088
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0187 0.0522 0.1521
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0087 0.0213 0.5956
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0021 0.0054
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0021 0.0054
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.027 0.0195
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.0265 0.0264
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.029 1
Schistosoma mansoni glutamate receptor AMPA 0.1127 0.3428 0.3377
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.1314 0.4005 0.4005
Brugia malayi Metabotropic glutamate receptor precursor. 0.0187 0.0522 0.1523
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0083 0.0201 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.0296 0.088
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0474 0.1408 0.3912
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0534 0.1593 0.1593
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0099 0.0251 0.025
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Brugia malayi amine oxidase, flavin-containing family protein 0.0083 0.0201 0.0588
Schistosoma mansoni glutamate receptor AMPA 0.1127 0.3428 0.3377
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1182 0.3596 1
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0082 0.0081
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0021 0.0063
Echinococcus multilocularis protoporphyrinogen oxidase 0.0083 0.0201 0.0201
Echinococcus granulosus dnaJ subfamily B 0.0841 0.2545 0.2544
Schistosoma mansoni hypothetical protein 0.0841 0.2545 0.2487
Trypanosoma cruzi UDP-galactopyranose mutase 0.0083 0.0201 0.2435
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1314 0.4005 0.4005
Mycobacterium ulcerans oxidoreductase 0.0083 0.0201 0.0555
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0534 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Echinococcus multilocularis cpg binding protein 0.0062 0.0137 0.0137
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0187 0.0522 0.0521
Onchocerca volvulus 0.0187 0.0522 1
Schistosoma mansoni patched 1 0.0045 0.0082 0.0005
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0187 0.0522 0.0521
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0335 0.0997
Brugia malayi CHE-14 protein 0.0045 0.0082 0.0239
Schistosoma mansoni voltage-gated potassium channel 0.0104 0.0265 0.0189
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0004
Loa Loa (eye worm) glutamate receptor 2 0.1127 0.3428 1
Echinococcus multilocularis dnaJ subfamily B 0.0841 0.2545 0.2544
Loa Loa (eye worm) RGC/RGC protein kinase 0.0187 0.0522 0.1521
Echinococcus multilocularis 0.0083 0.0201 0.0201
Trypanosoma cruzi UDP-galactopyranose mutase 0.0083 0.0201 0.2435
Loa Loa (eye worm) hypothetical protein 0.0083 0.0201 0.0586
Loa Loa (eye worm) RGC/RGC protein kinase 0.0187 0.0522 0.1521
Echinococcus multilocularis glutamate receptor 2 0.1314 0.4005 0.4005
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0004
Schistosoma mansoni cpg binding protein 0.0059 0.0127 0.005
Echinococcus multilocularis receptor type guanylyl cyclase 0.0187 0.0522 0.0521
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0083 0.0201 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1314 0.4005 0.4005
Echinococcus multilocularis nmda type glutamate receptor 0.167 0.5106 0.5105
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0201 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0083 0.0201 0.5743
Brugia malayi Thioredoxin reductase 0.005 0.0098 0.0287
Loa Loa (eye worm) hypothetical protein 0.0083 0.0201 0.0586
Echinococcus multilocularis Niemann Pick C1 protein 0.0148 0.0403 0.0402
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0021 0.0054
Loa Loa (eye worm) hypothetical protein 0.0055 0.0113 0.0327
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1314 0.4005 0.4005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.0296 0.088
Echinococcus granulosus receptor type guanylyl cyclase 0.0187 0.0522 0.0521
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0086 0.0009
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0201 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.0296 0.8749
Onchocerca volvulus 0.0187 0.0522 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0201 0.0586
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0534 0.1593 0.1593
Plasmodium falciparum glutathione reductase 0.005 0.0098 0.4829
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0004
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0082 0.0081
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1182 0.3596 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0187 0.0522 0.0521
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0534 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0474 0.1408 0.4214
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.0201 0.0201
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0086 0.0085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0086 0.0085
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1098 0.3339 1
Leishmania major UDP-galactopyranose mutase 0.0083 0.0201 0.3596
Schistosoma mansoni tyrosine kinase 0.0187 0.0522 0.0448
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0021 0.0059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0086 0.0009
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0474 0.1408 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0335 0.0997
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0187 0.0522 0.1523
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.1314 0.4005 0.4005
Echinococcus multilocularis protein patched 0.0045 0.0082 0.0081
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.1007 0.3057 0.3057
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0025 0.0021 0.0061
Echinococcus granulosus tyrosine kinase 0.0187 0.0522 0.0521
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.0265 0.0264
Brugia malayi Glutamate receptor 2 precursor 0.1127 0.3428 1
Schistosoma mansoni metabotropic glutamate receptor 0.0187 0.0522 0.0448
Echinococcus multilocularis nmda type glutamate receptor 0.085 0.2571 0.257
Echinococcus granulosus Niemann Pick C1 protein 0.0148 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0025 0.0021 0.0061
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0104 0.0265 0.0772
Echinococcus multilocularis potassium voltage gated channel protein 0.0104 0.0265 0.0264
Echinococcus multilocularis expressed conserved protein 0.0097 0.0246 0.0245
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0335 0.0997
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0187 0.0522 0.1521
Brugia malayi Guanylyl cyclase protein 23 0.0187 0.0522 0.1523
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0082 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0082 0.0237
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0187 0.0522 1
Schistosoma mansoni hypothetical protein 0.0534 0.1593 0.1528
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0187 0.0522 0.1521
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0083 0.0201 0.0125
Chlamydia trachomatis glutamine binding protein 0.0474 0.1408 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0098 0.0289
Echinococcus granulosus glutamate receptor NMDA 0.0663 0.1993 0.1992
Echinococcus multilocularis glutamate receptor NMDA 0.0663 0.1993 0.1992
Brugia malayi metabotropic glutamate receptor type 2 0.0187 0.0522 0.1523
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0086 0.0249
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0021 0.0059
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0021 0.0063
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0474 0.1408 1
Echinococcus multilocularis glutamate receptor 2 0.1127 0.3428 0.3427
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0098 0.0098
Schistosoma mansoni voltage-gated potassium channel 0.0104 0.0265 0.0189
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0021 0.0054
Loa Loa (eye worm) hypothetical protein 0.0083 0.0201 0.0586
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0086 0.0009
Chlamydia trachomatis protoporphyrinogen oxidase 0.0083 0.0201 0.1418
Brugia malayi glutathione reductase 0.005 0.0098 0.0287
Loa Loa (eye worm) hypothetical protein 0.0083 0.0201 0.0586
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Echinococcus granulosus nmda type glutamate receptor 0.085 0.2571 0.257
Brugia malayi Receptor family ligand binding region containing protein 0.0187 0.0522 0.1523
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1314 0.4005 0.4005
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0474 0.1408 0.5
Entamoeba histolytica hypothetical protein 0.0187 0.0522 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0855 0.2586 0.2585
Echinococcus granulosus atrial natriuretic peptide receptor 0.0187 0.0522 0.0521
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.0332 0.0257
Schistosoma mansoni metabotropic glutamate receptor 0.0187 0.0522 0.0448
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.0296 0.088
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0534 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0086 0.0085
Schistosoma mansoni cpg binding protein 0.0062 0.0137 0.0061
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0083 0.0201 0.0555
Loa Loa (eye worm) hypothetical protein 0.0104 0.0265 0.0771
Loa Loa (eye worm) hypothetical protein 0.0025 0.0021 0.0061
Plasmodium vivax glutathione reductase, putative 0.005 0.0098 0.4829
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1314 0.4005 0.4005
Echinococcus multilocularis protein dispatched 1 0.0051 0.0101 0.0101
Echinococcus granulosus potassium voltage gated channel protein 0.0104 0.0265 0.0264
Echinococcus granulosus cpg binding protein 0.0062 0.0137 0.0137
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0021 0.0054
Brugia malayi Receptor family ligand binding region containing protein 0.0187 0.0522 0.1523
Loa Loa (eye worm) glutathione reductase 0.005 0.0098 0.0285
Brugia malayi SWIRM domain containing protein 0.0083 0.0201 0.0588
Echinococcus multilocularis tyrosine kinase 0.0187 0.0522 0.0521
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.3254 1 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0021 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0004
Schistosoma mansoni glutamate receptor NMDA 0.3254 1 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0082 0.0237
Schistosoma mansoni glutamate receptor kainate 0.1127 0.3428 0.3377
Schistosoma mansoni glutamate receptor NMDA 0.1977 0.6054 0.6023
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0083 0.0201 0.0125
Echinococcus granulosus nmda type glutamate receptor 0.167 0.5106 0.5105
Schistosoma mansoni amine oxidase 0.0083 0.0201 0.0125
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0098 0.4829
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0104 0.0265 0.0264
Echinococcus multilocularis NMDA receptor 0.0534 0.1593 0.1593
Loa Loa (eye worm) glutamate receptor 1 0.1127 0.3428 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0083 0.0201 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0187 0.0522 0.0521
Echinococcus granulosus expressed conserved protein 0.0097 0.0246 0.0245
Echinococcus granulosus glutamate receptor 2 0.0781 0.2357 0.2356
Mycobacterium tuberculosis Possible oxidoreductase 0.0083 0.0201 0.0598
Mycobacterium ulcerans monoamine oxidase 0.0083 0.0201 0.0555
Schistosoma mansoni ATP-binding cassette transporter 0.1127 0.3428 0.3377
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0335 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0534 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0187 0.0522 0.1521
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.0265 0.4865
Schistosoma mansoni protein kinase 0.0187 0.0522 0.0448
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0098 0.0285
Leishmania major trypanothione reductase 0.005 0.0098 0.1535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0086 0.0251
Brugia malayi hypothetical protein 0.0083 0.0201 0.0588
Brugia malayi hypothetical protein 0.0187 0.0522 0.1523
Plasmodium falciparum protoporphyrinogen oxidase 0.0083 0.0201 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0083 0.0201 0.0598
Loa Loa (eye worm) hypothetical protein 0.0104 0.0265 0.077
Schistosoma mansoni glutamate receptor kainate 0.1127 0.3428 0.3377
Loa Loa (eye worm) RGC/RGC protein kinase 0.0187 0.0522 0.1521
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.0296 0.088
Schistosoma mansoni tyrosine kinase 0.0187 0.0522 0.0448
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0021 0.0063
Leishmania major extracellular receptor, putative 0.0187 0.0522 1
Schistosoma mansoni amine oxidase 0.0083 0.0201 0.0125
Onchocerca volvulus 0.0083 0.0201 0.3596
Brugia malayi Glutamate receptor 1 precursor 0.1127 0.3428 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.0201 0.0201
Echinococcus multilocularis glutamate receptor 2 0.0781 0.2357 0.2356
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0082 0.0081

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.17 uM Inhibition of human Kv1.5 channel expressed in mouse L929 cells ChEMBL. 17462888
IC50 (binding) = 0.17 uM Inhibition of human Kv1.5 channel expressed in mouse L929 cells ChEMBL. 17462888
IC50 (binding) = 0.172 uM Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current by volatge clamp technique ChEMBL. 18374568
IC50 (binding) = 0.172 uM Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current by volatge clamp technique ChEMBL. 18374568
Inhibition (binding) = 7 % Inhibition of human ERG expressed in human embryonic kidney cells at 10 uM ChEMBL. 17462888
Inhibition (binding) = 7 % Inhibition of human ERG expressed in human embryonic kidney cells at 10 uM ChEMBL. 17462888
Solubility = 0.01 mg/ml Aqueous solubility of the compound at pH 6.5 ChEMBL. 18374568

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

2 literature references were collected for this gene.

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