Detailed information for compound 1416101

Basic information

Technical information
  • TDR Targets ID: 1416101
  • Name: N-[2-[(2-chloro-6-fluorophenyl)methyl-methyla mino]-2-oxoethyl]thiophene-2-carboxamide
  • MW: 340.8 | Formula: C15H14ClFN2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)CNC(=O)c1cccs1)Cc1c(F)cccc1Cl
  • InChi: 1S/C15H14ClFN2O2S/c1-19(9-10-11(16)4-2-5-12(10)17)14(20)8-18-15(21)13-6-3-7-22-13/h2-7H,8-9H2,1H3,(H,18,21)
  • InChiKey: ZVDPLODPIWLJHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]thiophene-2-carboxamide
  • N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]-2-thiophenecarboxamide
  • N-[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl]thiophene-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0066 0.0321 0.107
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0054 0.0198 0.0302
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Echinococcus multilocularis sodium and chloride dependent glycine 0.0054 0.0198 0.0198
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0054 0.0198 0.066
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0153 0.0234
Schistosoma mansoni biogenic amine (5HT) receptor 0.0653 0.6546 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0066 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Brugia malayi excitatory GABA receptor EXP-1A 0.0066 0.0321 0.107
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0297 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0057 0.0226 0.0345
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0066 0.0321 0.0321
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0066 0.0321 0.107
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0153 0.0153
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0066 0.0321 0.0321
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0066 0.0321 0.0321
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0305 0.2857 1
Plasmodium vivax amine transporter, putative 0.0054 0.0198 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0054 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0653 0.6546 1
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Echinococcus granulosus glycine receptor subunit alpha 1 0.0066 0.0321 0.049
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0066 0.0321 0.0321
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0066 0.0321 0.049
Onchocerca volvulus 0.0066 0.0321 0.107
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0066 0.0321 0.0321
Onchocerca volvulus 0.0054 0.0198 0.066
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus granulosus nAChR subunit 0.0066 0.0321 0.049
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0062 0.0288 0.044
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0066 0.0321 0.049
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Loa Loa (eye worm) norepinephrine transporter 0.0318 0.2995 0.4575
Schistosoma mansoni hypothetical protein 0.0043 0.0086 0.0131
Schistosoma mansoni hypothetical protein 0.0049 0.0147 0.0224
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0066 0.0321 0.049
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0885 0.3099
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0297 0.0297
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Treponema pallidum sodium- and chloride- dependent transporter 0.0318 0.2995 1
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0153 0.0153
Echinococcus multilocularis protein dispatched 1 0.0058 0.0243 0.0243
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0066 0.0321 0.107
Echinococcus multilocularis serotonin receptor 0.0653 0.6546 0.6546
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0066 0.0321 0.049
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0054 0.0198 0.0302
Onchocerca volvulus 0.005 0.0153 0.0511
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0149 0.1204 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0066 0.0321 0.049
Onchocerca volvulus 0.0066 0.0321 0.107
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0297 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0066 0.0321 0.107
Schistosoma mansoni sodium/chloride dependent transporter 0.0054 0.0198 0.0302
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.1204 1
Echinococcus granulosus serotonin transporter 0.0318 0.2995 0.4575
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0054 0.0198 0.0302
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0305 0.2857 1
Plasmodium falciparum transporter, putative 0.0054 0.0198 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0066 0.0321 0.049
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0054 0.0198 0.066
Loa Loa (eye worm) hypothetical protein 0.005 0.0153 0.0234
Brugia malayi Cation transporter family protein 0.0066 0.0321 0.107
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0226 0.0754
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0196 0.1704 0.1704
Plasmodium falciparum amino acid transporter, putative 0.0054 0.0198 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0166 0.0254
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0153 0.0234
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0885 0.1352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Onchocerca volvulus 0.0066 0.0321 0.107
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0066 0.0321 0.107
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.1204 1
Onchocerca volvulus 0.0318 0.2995 1
Brugia malayi Cation transporter family protein 0.0066 0.0321 0.107
Onchocerca volvulus 0.0054 0.0198 0.066
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0226 0.0345
Brugia malayi mbt repeat family protein 0.005 0.0153 0.0511
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0066 0.0321 0.0321
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0066 0.0321 0.107
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0297 0.0454
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0054 0.0198 0.066
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0066 0.0321 0.0321
Brugia malayi Cation transporter family protein 0.0066 0.0321 0.107
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0054 0.0198 0.0302
Schistosoma mansoni sodium/chloride dependent transporter 0.0054 0.0198 0.0302
Echinococcus multilocularis sodium and chloride dependent glycine 0.0054 0.0198 0.0198
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0066 0.0321 0.107
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0066 0.0321 0.107
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0054 0.0198 0.066
Giardia lamblia Fructose-bisphosphate aldolase 0.0305 0.2857 0.5
Loa Loa (eye worm) serotonin transporter b 0.0318 0.2995 0.4575
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0166 0.0254
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0066 0.0321 0.049
Echinococcus multilocularis serotonin transporter 0.0318 0.2995 0.2995
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0226 0.0226
Loa Loa (eye worm) solute carrier family 6 member 4 0.0318 0.2995 0.4575
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0066 0.0321 0.049
Entamoeba histolytica hypothetical protein 0.0043 0.0086 0.0301
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0066 0.0321 0.107
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0166 0.0254
Onchocerca volvulus 0.0054 0.0198 0.066
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0198 0.5
Loa Loa (eye worm) hypothetical protein 0.0318 0.2995 0.4575
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0066 0.0321 0.107
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0086 0.0131
Loa Loa (eye worm) LGC-31 protein 0.0066 0.0321 0.049
Schistosoma mansoni hypothetical protein 0.0049 0.0147 0.0224
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0066 0.0321 0.049
Brugia malayi mbt repeat family protein 0.005 0.0153 0.0511
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Echinococcus multilocularis serotonin receptor 0.0653 0.6546 0.6546
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0054 0.0198 0.0198
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Schistosoma mansoni hypothetical protein 0.0303 0.2831 0.4325
Echinococcus granulosus sodium and chloride dependent glycine 0.0054 0.0198 0.0302
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus multilocularis glycine receptor subunit beta 0.0066 0.0321 0.0321
Echinococcus multilocularis protein patched 0.0051 0.0166 0.0166
Schistosoma mansoni hypothetical protein 0.0049 0.0147 0.0224
Echinococcus multilocularis expressed conserved protein 0.0112 0.0809 0.0809
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0054 0.0198 0.0198
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0086 0.0086
Schistosoma mansoni hypothetical protein 0.0049 0.0147 0.0224
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0066 0.0321 0.049
Entamoeba histolytica hypothetical protein 0.0043 0.0086 0.0301
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0153 0.0234
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0054 0.0198 0.0302
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0066 0.0321 0.107
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0066 0.0321 0.049
Echinococcus multilocularis glycine receptor subunit beta 0.0066 0.0321 0.0321
Onchocerca volvulus 0.0066 0.0321 0.107
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0086 0.0131
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Onchocerca volvulus 0.0066 0.0321 0.107
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0066 0.0321 0.107
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0066 0.0321 0.0321
Brugia malayi CHE-14 protein 0.0051 0.0166 0.0555
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0153 0.0234
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0066 0.0321 0.049
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0153 0.0511
Loa Loa (eye worm) hypothetical protein 0.0318 0.2995 0.4575
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0318 0.2995 0.4575
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0226 0.0345
Schistosoma mansoni sodium/chloride dependent transporter 0.0318 0.2995 0.4575
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0885 0.0885
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0051 0.0166 0.0254
Loa Loa (eye worm) hypothetical protein 0.0318 0.2995 0.4575
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0054 0.0198 0.5
Loa Loa (eye worm) MBCTL1 0.0057 0.0226 0.0345
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0066 0.0321 0.107
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0196 0.1704 0.2603
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0066 0.0321 0.049
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0166 0.0166
Brugia malayi hypothetical protein 0.0054 0.0198 0.066
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0066 0.0321 0.107
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0066 0.0321 0.107
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0885 0.2956
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1426 0.1426
Echinococcus granulosus glycine receptor subunit beta 0.0066 0.0321 0.049
Echinococcus granulosus biogenic amine 5HT receptor 0.0653 0.6546 1
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1426 0.2178
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0318 0.2995 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0153 0.0234
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0054 0.0198 0.0302
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Echinococcus granulosus expressed conserved protein 0.0112 0.0809 0.1236
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0153 0.0234
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.2857 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Schistosoma mansoni sodium-dependent amino acid transporter 0.0054 0.0198 0.0302
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0066 0.0321 0.049
Schistosoma mansoni patched 1 0.0051 0.0166 0.0254
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0066 0.0321 0.049
Onchocerca volvulus Putative nachr subunit 0.0066 0.0321 0.107
Loa Loa (eye worm) ACC-1 protein 0.0066 0.0321 0.049
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0066 0.0321 0.049
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0297 0.0454
Brugia malayi hypothetical protein 0.0043 0.0086 0.0287
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0054 0.0198 0.0302
Echinococcus multilocularis nAChR subunit 0.0066 0.0321 0.0321
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0066 0.0321 0.049
Echinococcus granulosus glycine receptor subunit beta 0.0066 0.0321 0.049
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0905 0.1382
Loa Loa (eye worm) ACC-1 protein 0.0066 0.0321 0.049
Entamoeba histolytica hypothetical protein 0.0043 0.0086 0.0301
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0066 0.0321 0.107
Loa Loa (eye worm) hypothetical protein 0.0119 0.0885 0.1352
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0066 0.0321 0.049
Schistosoma mansoni nAChR subunit 0.0066 0.0321 0.049
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0054 0.0198 0.0302
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0066 0.0321 0.107
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0226 0.0226
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0297 0.0454
Loa Loa (eye worm) hypothetical protein 0.0066 0.0321 0.049
Echinococcus granulosus sodium and chloride dependent glycine 0.0054 0.0198 0.0302
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0066 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0653 0.6546 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0066 0.0321 0.049
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0226 0.0345
Loa Loa (eye worm) hypothetical protein 0.0054 0.0198 0.0302
Entamoeba histolytica hypothetical protein 0.0043 0.0086 0.0301

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (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, 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 Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 18.526 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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.
 
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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