Detailed information for compound 1370723

Basic information

Technical information
  • TDR Targets ID: 1370723
  • Name: 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiaz ol-2-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]- N-phenylacetamide
  • MW: 490.965 | Formula: C24H19ClN6O2S
  • H donors: 0 H acceptors: 5 LogP: 4.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN(c1ccccc1)C(=O)CSc1nnc(o1)Cn1nnc2c1cccc2
  • InChi: 1S/C24H19ClN6O2S/c25-18-12-10-17(11-13-18)14-30(19-6-2-1-3-7-19)23(32)16-34-24-28-27-22(33-24)15-31-21-9-5-4-8-20(21)26-29-31/h1-13H,14-16H2
  • InChiKey: YLYYADBXTDWJBT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]-N-phenyl-acetamide
  • 2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
  • 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-chlorobenzyl)-N-phenyl-acetamide
  • 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]-N-phenyl-ethanamide
  • ASN 04046622
  • 2-(5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(4-chloro-benzyl)-N-phenyl-acetamide
  • MLS000529151
  • SMR000121626

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens galanin receptor 3 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group F, member 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131829 All targets in OG5_131829
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Steroid receptor seven-up type 2 Get druggable targets OG5_131829 All targets in OG5_131829
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor nuclear receptor subfamily 2, group F, member 1 423 aa 354 aa 26.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Echinococcus granulosus intermediate filament protein 0.0033 0.0321 0.0353
Loa Loa (eye worm) hypothetical protein 0.005 0.0936 0.0936
Schistosoma mansoni hypothetical protein 0.0058 0.1211 0.3071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.0719 0.0668
Mycobacterium ulcerans hypothetical protein 0.0043 0.0699 1
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0719 0.1824
Loa Loa (eye worm) hypothetical protein 0.0043 0.0699 0.0699
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0615 0.0615
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0719 0.0719
Brugia malayi beta-lactamase family protein 0.0043 0.0699 0.0699
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0699 0.0769
Brugia malayi nuclear receptor NHR-88 0.0044 0.0719 0.0719
Loa Loa (eye worm) acetylcholinesterase 1 0.0137 0.3942 0.3942
Entamoeba histolytica hypothetical protein 0.0043 0.0698 0.2782
Brugia malayi steroid hormone receptor 0.0044 0.0719 0.0719
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.0719 0.1824
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0699 0.0699
Brugia malayi hypothetical protein 0.0148 0.4319 0.4319
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0699 0.0793
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.0719 0.0719
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Loa Loa (eye worm) carboxylesterase 0.0137 0.3942 0.3942
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.0719 0.1824
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 1 1
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0615 0.0677
Schistosoma mansoni nuclear hormone receptor 0.0044 0.0719 0.1824
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0699 0.0793
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0719 0.0719
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.0719 0.0719
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.256 0.6493
Loa Loa (eye worm) hypothetical protein 0.0043 0.0699 0.0699
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0719 0.0719
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.0719 0.1824
Schistosoma mansoni lamin 0.0033 0.0321 0.0814
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.6284 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0615 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0719 0.0719
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.0719 0.1824
Leishmania major hypothetical protein, conserved 0.0043 0.0699 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.3942 0.3942
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.0719 0.0791
Loa Loa (eye worm) hypothetical protein 0.0137 0.3942 0.3942
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0699 0.0699
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.3932 0.4326
Brugia malayi hypothetical protein 0.0043 0.0698 0.0698
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0699 0.0699
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0618 0.0618
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0699 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0699 0.1773
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 0.0719 0.0719
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.0719 0.0719
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.0719 0.0791
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.0719 0.0791
Loa Loa (eye worm) hypothetical protein 0.0041 0.0615 0.0615
Mycobacterium ulcerans lipase LipD 0.0043 0.0699 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.2509 0.276
Echinococcus multilocularis lamin dm0 0.0033 0.0321 0.0353
Schistosoma mansoni hypothetical protein 0.0041 0.0618 0.1569
Echinococcus granulosus expressed conserved protein 0.009 0.2307 0.2539
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6665 0.6665
Brugia malayi beta-lactamase family protein 0.0043 0.0699 0.0699
Toxoplasma gondii ABC1 family protein 0.0043 0.0699 0.5
Brugia malayi nuclear hormone receptor 0.0044 0.0719 0.0719
Mycobacterium tuberculosis Conserved protein 0.0043 0.0699 0.0793
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0615 0.0677
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.0719 0.0791
Loa Loa (eye worm) hypothetical protein 0.0148 0.4319 0.4319
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.9088 1
Brugia malayi Steroid receptor seven-up type 2 0.0153 0.448 0.448
Onchocerca volvulus 0.0043 0.0699 0.0634
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0153 0.448 0.493
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0615 0.0615
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0699 0.0769
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.0719 0.0719
Brugia malayi beta-lactamase 0.0043 0.0699 0.0699
Loa Loa (eye worm) hypothetical protein 0.0043 0.0699 0.0699
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0699 0.0699
Schistosoma mansoni coup transcription factor 0.0044 0.0719 0.1824
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0719 0.1824
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0719 0.0791
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1279 0.1279
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0698 0.177
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0698 0.0768
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Entamoeba histolytica hypothetical protein 0.0043 0.0698 0.2782
Loa Loa (eye worm) beta-lactamase 0.0043 0.0699 0.0699
Mycobacterium leprae Probable lipase LipE 0.0043 0.0699 0.5
Brugia malayi Carboxylesterase family protein 0.0137 0.3942 0.3942
Loa Loa (eye worm) hypothetical protein 0.0148 0.4319 0.4319
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.0719 0.0791
Echinococcus granulosus FTZ F1 alpha 0.0044 0.0719 0.0791
Mycobacterium tuberculosis Conserved protein 0.0043 0.0699 0.0793
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.0719 0.1824
Loa Loa (eye worm) hypothetical protein 0.006 0.1279 0.1279
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0719 0.0791
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1211 0.1211
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.0719 0.0791
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.0719 0.0791
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 0.0719 0.0791
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0321 0.0321
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Echinococcus multilocularis carboxylesterase 5A 0.0137 0.3942 0.4338
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0699 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0618 0.0618
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8819 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.0719 0.0719
Echinococcus granulosus acetylcholinesterase 0.0137 0.3942 0.4338
Echinococcus multilocularis acetylcholinesterase 0.0137 0.3942 0.4338
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0719 0.1824
Echinococcus multilocularis lamin 0.0033 0.0321 0.0353
Schistosoma mansoni hypothetical protein 0.004 0.0564 0.1431
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0699 0.0793
Loa Loa (eye worm) hypothetical protein 0.0043 0.0699 0.0699
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0699 0.0793
Echinococcus multilocularis protein patched 0.0041 0.0615 0.0677
Loa Loa (eye worm) hypothetical protein 0.0096 0.2509 0.2509
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.0719 0.0719
Loa Loa (eye worm) hypothetical protein 0.0286 0.9088 0.9088
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0699 0.0793
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0699 0.0793
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.0719 0.1824
Onchocerca volvulus Huntingtin homolog 0.0148 0.4319 0.6706
Brugia malayi hypothetical protein 0.0286 0.9088 0.9088
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0321 0.0321
Brugia malayi Carboxylesterase family protein 0.0137 0.3942 0.3942
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0719 0.0791
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0719 0.0791
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0137 0.3942 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.0817 0.0898
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.0719 0.1824
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.0719 0.0668
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.0719 0.0719
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 0.0719 0.0791
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.3932 0.4326
Schistosoma mansoni patched 1 0.0041 0.0615 0.1561
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.2509 0.2509
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1279 0.1279
Entamoeba histolytica hypothetical protein 0.0043 0.0698 0.2782
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0699 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.0719 0.1824
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.0719 0.0791
Echinococcus granulosus acetylcholinesterase 0.0137 0.3942 0.4338
Loa Loa (eye worm) hypothetical protein 0.0032 0.03 0.03
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0699 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.0719 0.0791
Echinococcus multilocularis acetylcholinesterase 0.0137 0.3942 0.4338
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Onchocerca volvulus 0.0058 0.1211 0.1492
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0699 0.0699
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0719 0.0719
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0699 0.0699
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0699 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0699 0.0699
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Echinococcus multilocularis musashi 0.0033 0.0321 0.0353
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.0719 0.0719
Entamoeba histolytica hypothetical protein 0.0043 0.0698 0.2782
Brugia malayi ecdysteroid receptor 0.0044 0.0719 0.0719
Loa Loa (eye worm) hypothetical protein 0.0033 0.0321 0.0321
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0719 0.0719
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 0.0719 0.0719
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.0719 0.0719
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0699 0.1773
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Echinococcus granulosus lamin dm0 0.0033 0.0321 0.0353
Loa Loa (eye worm) hypothetical protein 0.0043 0.0699 0.0699
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.0719 0.0719
Mycobacterium ulcerans beta-lactamase 0.0043 0.0699 1
Loa Loa (eye worm) nuclear hormone receptor 0.0129 0.3674 0.3674
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.0719 0.0719
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0699 0.0793
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0699 0.5
Onchocerca volvulus 0.0043 0.0699 0.0634
Schistosoma mansoni hypothetical protein 0.004 0.0564 0.1431
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.2509 0.276
Schistosoma mansoni hypothetical protein 0.004 0.0564 0.1431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.0719 0.0719
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0698 0.0768
Schistosoma mansoni hypothetical protein 0.0043 0.0698 0.177
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0321 0.0321
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1279 0.1279
Schistosoma mansoni hypothetical protein 0.004 0.0564 0.1431
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Echinococcus multilocularis expressed conserved protein 0.009 0.2307 0.2539
Loa Loa (eye worm) hypothetical protein 0.0043 0.0699 0.0699
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.0719 0.0668
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.9088 1
Echinococcus granulosus carboxylesterase 5A 0.0137 0.3942 0.4338
Schistosoma mansoni survival motor neuron protein 0.0058 0.1211 0.3071
Onchocerca volvulus 0.0044 0.0719 0.0668
Echinococcus granulosus lamin 0.0033 0.0321 0.0353
Brugia malayi CHE-14 protein 0.0041 0.0615 0.0615
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6665 0.6665
Onchocerca volvulus 0.0043 0.0699 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0699 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6284 0.6284
Loa Loa (eye worm) hypothetical protein 0.0044 0.0719 0.0719
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.0719 0.0719
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0719 0.0719
Schistosoma mansoni intermediate filament proteins 0.0033 0.0321 0.0814
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.0719 0.0719
Loa Loa (eye worm) hypothetical protein 0.0132 0.376 0.376
Brugia malayi intermediate filament protein 0.0033 0.0321 0.0321
Mycobacterium tuberculosis Conserved protein 0.0043 0.0699 0.0793
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.2509 1
Schistosoma mansoni lamin 0.0033 0.0321 0.0814
Onchocerca volvulus Huntingtin homolog 0.0148 0.4319 0.6706
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0153 0.448 0.493
Trichomonas vaginalis esterase, putative 0.0043 0.0699 0.0699

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.11 uM PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose response assay to identify antagonists of the Galanin Receptor 3 (GalR3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 4.191 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify inhibitors of COUP-TFII (NR2F2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 85.404 uM PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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