Detailed information for compound 1480863

Basic information

Technical information
  • TDR Targets ID: 1480863
  • Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)- 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1- yl)acetamide
  • MW: 460.278 | Formula: C20H18BrN3O5
  • H donors: 2 H acceptors: 3 LogP: 2.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc2OCCOc2cc1Br)CN1C(=O)NC(C1=O)(C)c1ccccc1
  • InChi: 1S/C20H18BrN3O5/c1-20(12-5-3-2-4-6-12)18(26)24(19(27)23-20)11-17(25)22-14-10-16-15(9-13(14)21)28-7-8-29-16/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,27)
  • InChiKey: ADIJIAHBGSSSOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)acetamide
  • N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetamide
  • N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-diketo-4-methyl-4-phenyl-imidazolidin-1-yl)acetamide
  • N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0132 0.1162
Loa Loa (eye worm) hypothetical protein 0.0083 0.0954 0.1631
Schistosoma mansoni neurotransmitter gated ion channel 0.0031 0.0168 0.0356
Loa Loa (eye worm) ACC-1 protein 0.0068 0.0718 0.1228
Schistosoma mansoni acetylcholine receptor-related 0.0031 0.0168 0.0356
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0068 0.0718 0.1133
Onchocerca volvulus 0.0046 0.0396 0.0402
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0682 1 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0396 0.0402
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Onchocerca volvulus 0.0036 0.0247 0.0175
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0493 0.099
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.1121 0.2326
Schistosoma mansoni acetylcholine receptor subunit beta 0.0031 0.0168 0.0356
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0303 0.0584
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0132 0.0222
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0493 0.099
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0718 0.1133
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0074 0.5
Onchocerca volvulus 0.0058 0.058 0.0682
Echinococcus multilocularis glycine receptor subunit beta 0.0068 0.0718 0.1468
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0493 0.0744
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0207 0.2824 0.4773
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0036 0.0247 0.0523
Onchocerca volvulus 0.0068 0.0718 0.0892
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0252 0.0431
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0224 0.0417
Onchocerca volvulus 0.0031 0.0168 0.0055
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0407 0.5849 1
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0252 0.0533
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0493 0.099
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0068 0.0718 0.1133
Onchocerca volvulus Putative nachr subunit 0.0207 0.2824 0.41
Loa Loa (eye worm) GABA receptor subunit 0.0036 0.0247 0.0423
Echinococcus multilocularis geminin 0.0333 0.4729 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0224 0.0417
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0036 0.0247 0.0319
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0058 0.058 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0068 0.0718 0.1468
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0036 0.0247 0.0319
Brugia malayi Cation transporter family protein 0.0068 0.0718 0.1133
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0168 0.0183
Echinococcus multilocularis nAChR subunit 0.0036 0.0247 0.0467
Schistosoma mansoni bromodomain containing protein 0.0061 0.0625 0.1321
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0132 0.0059
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0207 0.2824 0.5949
Brugia malayi mbt repeat family protein 0.0046 0.0396 0.0577
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0682 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0682 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0718 0.1133
Echinococcus granulosus nAChR subunit 0.0036 0.0247 0.0467
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0068 0.0718 0.1518
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0396 0.0784
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0068 0.0718 0.1468
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0068 0.0718 0.1228
Echinococcus granulosus glycine receptor subunit beta 0.0068 0.0718 0.1468
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0068 0.0718 0.1468
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Trichomonas vaginalis set domain proteins, putative 0.0463 0.6699 0.5
Schistosoma mansoni hypothetical protein 0.0333 0.4729 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0829 0.1752
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0207 0.2824 0.5949
Loa Loa (eye worm) ACC-1 protein 0.0068 0.0718 0.1228
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0083 0.0954 0.8961
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0718 0.1133
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.1036 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0132 0.0226
Schistosoma mansoni neurotransmitter gated ion channel 0.0031 0.0168 0.0356
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0036 0.0247 0.0523
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0068 0.0718 0.1518
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0074 0.5
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1057 0.2189
Loa Loa (eye worm) MBCTL1 0.0053 0.0493 0.0843
Brugia malayi Bromodomain containing protein 0.0037 0.0259 0.0339
Echinococcus multilocularis peregrin 0.0031 0.0167 0.0296
Echinococcus granulosus jumonji domain containing protein 0.004 0.0303 0.0584
Echinococcus granulosus glycine receptor subunit alpha 1 0.0068 0.0718 0.1468
Loa Loa (eye worm) hypothetical protein 0.0053 0.0493 0.0843
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0682 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0132 0.028
Loa Loa (eye worm) hypothetical protein 0.0049 0.0443 0.0757
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0068 0.0718 0.1468
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.083 0.1755
Echinococcus multilocularis glycine receptor subunit beta 0.0068 0.0718 0.1468
Plasmodium vivax SET domain protein, putative 0.0058 0.058 0.051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1057 0.2189
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0572 0.1158
Brugia malayi Pre-SET motif family protein 0.0407 0.5849 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0068 0.0718 0.1133
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0436 0.0645
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0058 0.058 0.1227
Brugia malayi hypothetical protein 0.0031 0.0168 0.0183
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0068 0.0718 0.1518
Onchocerca volvulus 0.0036 0.0247 0.0175
Echinococcus granulosus nAChR subunit 0.0068 0.0718 0.1468
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0068 0.0718 0.1133
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0207 0.2824 0.5949
Loa Loa (eye worm) LGC-31 protein 0.0068 0.0718 0.1228
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Brugia malayi Bromodomain containing protein 0.0031 0.0167 0.018
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0207 0.2824 0.5949
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0075 0.083 0.1706
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0068 0.0718 0.1133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1057 0.2236
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0396 0.0678
Echinococcus granulosus glycine receptor subunit beta 0.0068 0.0718 0.1468
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0718 0.1133
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.2451 0.5154
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0031 0.0168 0.0183
Brugia malayi hypothetical protein 0.0031 0.0168 0.0183
Loa Loa (eye worm) hypothetical protein 0.0033 0.0203 0.0346
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0203 0.0242
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0068 0.0718 0.1228
Echinococcus granulosus peregrin 0.0031 0.0167 0.0296
Loa Loa (eye worm) hypothetical protein 0.0049 0.0436 0.0746
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.1036 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0294 0.0503
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0068 0.0718 0.1518
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0718 0.1133
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0068 0.0718 0.1518
Onchocerca volvulus 0.0031 0.0168 0.0055
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0718 0.1133
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Schistosoma mansoni hypothetical protein 0.0333 0.4729 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.083 0.1755
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0031 0.0168 0.0299
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Loa Loa (eye worm) hypothetical protein 0.0046 0.0396 0.0678
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0068 0.0718 0.1133
Brugia malayi mbt repeat family protein 0.0046 0.0396 0.0577
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.1057 0.1807
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0068 0.0718 0.1468
Onchocerca volvulus 0.0068 0.0718 0.0892
Schistosoma mansoni hypothetical protein 0.0029 0.0132 0.028
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0068 0.0718 0.1468
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Onchocerca volvulus 0.0068 0.0718 0.0892
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0207 0.2824 0.4829
Loa Loa (eye worm) hypothetical protein 0.0041 0.0322 0.0551
Giardia lamblia PHD finger protein 15 0.0029 0.0132 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Echinococcus granulosus glycine receptor subunit alpha 1 0.0068 0.0718 0.1468
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0083 0.0954 0.8961
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0068 0.0718 0.1228
Onchocerca volvulus 0.0068 0.0718 0.0892
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1057 0.2236
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.1121 0.2326
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.1036 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0572 0.1158
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0252 0.0533
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Onchocerca volvulus 0.0031 0.0168 0.0055
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0396 0.0784
Schistosoma mansoni hypothetical protein 0.0033 0.0203 0.0428
Loa Loa (eye worm) hypothetical protein 0.0069 0.0734 0.1254
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0396 0.0838
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0436 0.0645
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0207 0.2824 0.5949
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.058 0.1227
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Brugia malayi PHD-finger family protein 0.0029 0.0132 0.0121
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0068 0.0718 0.1468
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0168 0.0183
Brugia malayi Bromodomain containing protein 0.0073 0.0796 0.1268
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0031 0.0168 0.0183
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0718 0.1133
Loa Loa (eye worm) hypothetical protein 0.0029 0.0132 0.0226
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0682 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0168 0.0183
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0068 0.0718 0.1133
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Loa Loa (eye worm) hypothetical protein 0.0207 0.2824 0.4829
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0718 0.1133
Schistosoma mansoni neurotransmitter gated ion channel 0.0036 0.0247 0.0523
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0036 0.0247 0.0319
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0595 0.1018
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0031 0.0168 0.0299
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0031 0.0168 0.0299
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0493 0.1043
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1057 0.2236
Loa Loa (eye worm) hypothetical protein 0.0025 0.0074 0.0126
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0068 0.0718 0.1228
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0396 0.0838
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0068 0.0718 0.1468
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0252 0.0476
Leishmania major hypothetical protein, conserved 0.0025 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.2451 0.5154
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0548 0.1105
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0068 0.0718 0.1468
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0068 0.0718 0.1468
Brugia malayi hypothetical protein 0.0031 0.0168 0.0183
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Brugia malayi Cation transporter family protein 0.0068 0.0718 0.1133
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0031 0.0168 0.0183
Echinococcus granulosus geminin 0.0333 0.4729 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0031 0.0168 0.0299
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0132 0.0222
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0058 0.058 0.1174
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0031 0.0168 0.0288
Brugia malayi Cation transporter family protein 0.0068 0.0718 0.1133
Loa Loa (eye worm) hypothetical protein 0.0075 0.083 0.1419
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0207 0.2824 0.5949
Onchocerca volvulus 0.0068 0.0718 0.0892
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0396 0.0838
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1057 0.2189
Onchocerca volvulus 0.0068 0.0718 0.0892
Brugia malayi jmjC domain containing protein 0.0037 0.0252 0.0327
Brugia malayi Pre-SET motif family protein 0.0058 0.058 0.0894
Loa Loa (eye worm) hypothetical protein 0.0037 0.026 0.0444
Onchocerca volvulus 0.0463 0.6699 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0068 0.0718 0.1468
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.1036 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0074 0.5
Schistosoma mansoni nAChR subunit 0.0031 0.0168 0.0356
Echinococcus multilocularis nAChR subunit 0.0068 0.0718 0.1468
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0031 0.0168 0.0299
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0028 0.0059
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0436 0.0746
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.1057 0.1719
Schistosoma mansoni hypothetical protein 0.0281 0.3945 0.8342
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0396 0.0784
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0132 0.1162
Echinococcus granulosus histone lysine methyltransferase setb 0.0075 0.083 0.1706
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Brugia malayi hypothetical protein 0.0025 0.0074 0.0019
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0068 0.0718 0.1468
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0396 0.0784
Loa Loa (eye worm) acetylcholine receptor protein 0.0031 0.0168 0.0288
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0068 0.0718 0.1468
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0068 0.0718 0.1228
Loa Loa (eye worm) hypothetical protein 0.0031 0.0168 0.0288
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0682 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0224 0.0417
Brugia malayi jmjC domain containing protein 0.0094 0.1121 0.183
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0493 0.099
Schistosoma mansoni nAChR subunit 0.0031 0.0168 0.0356
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0031 0.0168 0.0288
Plasmodium falciparum phd finger protein, putative 0.0029 0.0132 0.0059
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0068 0.0718 0.1133
Loa Loa (eye worm) hypothetical protein 0.0036 0.0247 0.0423
Brugia malayi hypothetical protein 0.0031 0.0168 0.0183
Brugia malayi hypothetical protein 0.0031 0.0168 0.0183
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0682 1 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0036 0.0247 0.0319
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1057 0.2189
Schistosoma mansoni nAChR subunit 0.0068 0.0718 0.1518
Entamoeba histolytica fatty acid elongase, putative 0.0089 0.1036 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0718 0.1228
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0068 0.0718 0.1518

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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
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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