Detailed information for compound 1280024

Basic information

Technical information
  • TDR Targets ID: 1280024
  • Name: 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4 -yl]sulfanyl]-N-(phenylmethyl)acetamide
  • MW: 417.499 | Formula: C24H20FN3OS
  • H donors: 1 H acceptors: 1 LogP: 4.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSC1=Nc2ccccc2N=C(C1)c1ccc(cc1)F)NCc1ccccc1
  • InChi: 1S/C24H20FN3OS/c25-19-12-10-18(11-13-19)22-14-24(28-21-9-5-4-8-20(21)27-22)30-16-23(29)26-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,29)
  • InChiKey: NQYQZKKECDSUNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide
  • 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(phenylmethyl)ethanamide
  • G681-0689
  • NCGC00133130-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0766 0.1409
Schistosoma mansoni hypothetical protein 0.0051 0.0909 0.1107
Brugia malayi hypothetical protein 0.0017 0.0186 0.0292
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 1
Schistosoma mansoni ferritin light chain 0.0018 0.0211 0.0257
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0969 0.546
Echinococcus multilocularis tumor protein p63 0.0378 0.7845 0.9555
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0088 0.0107
Loa Loa (eye worm) hypothetical protein 0.0075 0.1421 0.2665
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.1544 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.0088 0.0104
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0887 0.4864
Echinococcus granulosus ferritin 0.0018 0.0211 0.0257
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0088 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0088 0.01
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1421 0.2399
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1199 0.2237
Schistosoma mansoni hypothetical protein 0.0166 0.3348 0.4078
Echinococcus granulosus survival motor neuron protein 1 0.0255 0.5233 0.6373
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3312 0.4034
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0887 0.4864
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0909 0.1683
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0524 0.0638
Brugia malayi ecdysteroid receptor 0.0012 0.0088 0.0104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0088 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0088 0.0104
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0088 0.0107
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1457 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.1199 0.2237
Schistosoma mansoni survival motor neuron protein 0.0052 0.0931 0.1134
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0088 0.0107
Loa Loa (eye worm) hypothetical protein 0.0075 0.1421 0.2665
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0088 0.0107
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0909 0.1107
Echinococcus granulosus dnaJ subfamily B 0.0395 0.8211 1
Echinococcus granulosus expressed protein 0.0018 0.0211 0.0257
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0161 0.3242 0.6172
Echinococcus multilocularis survival motor neuron protein 1 0.0255 0.5233 0.6373
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0909 0.168
Schistosoma mansoni ferritin 0.0018 0.0211 0.0257
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0766 0.1405
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0088 0.0104
Schistosoma mansoni ferritin 0.0018 0.0211 0.0257
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0766 0.0933
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0088 0.0104
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0887 0.108
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1421 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.039 0.0077
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.1421 0.1236
Loa Loa (eye worm) hypothetical protein 0.0161 0.3242 0.617
Brugia malayi beta-lactamase family protein 0.0075 0.1421 0.2668
Onchocerca volvulus 0.0075 0.1421 0.258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0766 0.0933
Echinococcus multilocularis GPCR, family 2 0.0051 0.0909 0.1107
Mycobacterium ulcerans beta-lactamase 0.0075 0.1421 0.9707
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0896 0.07
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 0.3242 0.617
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0887 0.4699
Onchocerca volvulus 0.0052 0.0931 0.1632
Schistosoma mansoni cpg binding protein 0.0029 0.0451 0.0549
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.8211 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1421 0.173
Echinococcus granulosus tar DNA binding protein 0.0065 0.1199 0.146
Trichomonas vaginalis set domain proteins, putative 0.0256 0.5255 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0887 0.1341
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0088 0.0107
Brugia malayi steroid hormone receptor 0.0012 0.0088 0.0104
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0088 0.0107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0088 0.01
Loa Loa (eye worm) hypothetical protein 0.0075 0.1421 0.2665
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0088 0.0104
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0931 0.1726
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1199 0.146
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.1421 0.1236
Loa Loa (eye worm) hypothetical protein 0.0075 0.1421 0.2665
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0088 0.0104
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Loa Loa (eye worm) hypothetical protein 0.011 0.2162 0.4092
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.4598 0.8778
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1199 0.146
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0088 0.01
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0088 0.0104
Plasmodium vivax SET domain protein, putative 0.0033 0.0524 0.1322
Loa Loa (eye worm) hypothetical protein 0.0077 0.1457 0.2735
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0077 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0088 0.0104
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0417 0.0734
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0887 0.1638
Echinococcus granulosus GPCR family 2 0.0051 0.0909 0.1107
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.1421 0.1236
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0887 0.1341
Echinococcus granulosus cpg binding protein 0.0029 0.0451 0.0549
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0036 0.0044
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0887 0.4864
Schistosoma mansoni cpg binding protein 0.0029 0.0451 0.0549
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0088 0.0107
Schistosoma mansoni apoferritin-2 0.0018 0.0211 0.0257
Mycobacterium tuberculosis Conserved protein 0.0075 0.1421 0.1236
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1421 0.2399
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0088 0.0107
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0887 0.108
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0909 0.1107
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0887 0.4864
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0088 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0088 0.0104
Loa Loa (eye worm) hypothetical protein 0.0255 0.5233 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0909 0.1683
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0088 0.0107
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.1457 0.1775
Brugia malayi TAR-binding protein 0.0065 0.1199 0.2241
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0896 0.1091
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0524 0.0638
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0088 0.0104
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1199 0.146
Loa Loa (eye worm) hypothetical protein 0.0055 0.1002 0.1859
Mycobacterium tuberculosis Conserved protein 0.0075 0.1421 0.1236
Echinococcus multilocularis expressed protein 0.0018 0.0211 0.0257
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1421 0.2399
Loa Loa (eye worm) hypothetical protein 0.0075 0.1421 0.2665
Mycobacterium tuberculosis Conserved protein 0.0075 0.1421 0.1236
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0088 0.0104
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.1421 0.9707
Brugia malayi hypothetical protein 0.0026 0.0381 0.0669
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0088 0.0107
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.1002 0.122
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0887 0.1341
Schistosoma mansoni hypothetical protein 0.0051 0.0909 0.1107
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1421 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0766 0.0933
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.1457 0.1775
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.2162 0.4094
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.1421 0.173
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0896 0.1091
Echinococcus granulosus tumor protein p63 0.0378 0.7845 0.9555
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1421 0.2399
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.3054 0.3719
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0524 0.0638
Echinococcus multilocularis cpg binding protein 0.0029 0.0451 0.0549
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0524 0.0638
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.1457 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1199 0.2241
Mycobacterium ulcerans lipase LipD 0.0075 0.1421 0.9707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0088 0.01
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0766 0.0933
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0524 0.0638
Schistosoma mansoni cpg binding protein 0.0028 0.0417 0.0508
Loa Loa (eye worm) hypothetical protein 0.0033 0.0524 0.0939
Schistosoma mansoni hypothetical protein 0.011 0.2162 0.2633
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.1421 0.1236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0088 0.01
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1199 0.146
Onchocerca volvulus 0.0075 0.1421 0.258
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.1421 0.1236
Schistosoma mansoni ferritin 0.0018 0.0211 0.0257
Schistosoma mansoni ferritin 0.0018 0.0211 0.0257
Mycobacterium leprae conserved hypothetical protein 0.0075 0.1421 0.9707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0088 0.01
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0887 0.108
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0887 0.1341
Echinococcus multilocularis ferritin 0.0018 0.0211 0.0257
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0088 0.0107
Onchocerca volvulus 0.0028 0.0417 0.0638
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0088 0.0107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Toxoplasma gondii ABC1 family protein 0.0075 0.1421 0.9661
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0088 0.0107
Schistosoma mansoni hypothetical protein 0.0052 0.0931 0.1134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0766 0.0933
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 1
Echinococcus multilocularis geminin 0.0166 0.3348 0.4078
Mycobacterium ulcerans hypothetical protein 0.0075 0.1421 0.9707
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.1457 0.1775
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1457 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.1421 0.9707
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0909 0.1107
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0088 0.0107
Schistosoma mansoni hypothetical protein 0.0152 0.3054 0.3719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0766 0.0933
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.3312 0.4034
Schistosoma mansoni hypothetical protein 0.0166 0.3348 0.4078
Brugia malayi hypothetical protein 0.0255 0.5233 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Trichomonas vaginalis esterase, putative 0.0075 0.1421 0.2399
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1421 0.2399
Brugia malayi RNA binding protein 0.0065 0.1199 0.2241
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0036 0.0044
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0896 0.5499
Brugia malayi beta-lactamase family protein 0.0075 0.1421 0.2668
Trypanosoma brucei protein kinase, putative 0.005 0.0887 0.4864
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3312 0.4034
Onchocerca volvulus 0.0075 0.1421 0.258
Brugia malayi Pre-SET motif family protein 0.0033 0.0524 0.0943
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0088 0.0107
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0887 0.4864
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0887 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0524 0.0638
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0088 0.0107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0766 0.0933
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0088 0.0107
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0077 0.0093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0088 0.0107
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1199 0.2237
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Mycobacterium leprae Probable lipase LipE 0.0075 0.1421 0.9707
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1421 0.173
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0088 0.0107
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.039 0.1437
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.039 0.0077
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0524 0.1322
Brugia malayi Pre-SET motif family protein 0.0225 0.4598 0.8779
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1102 0.1342
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1199 0.146
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0887 0.4864
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0887 0.108
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0088 0.0104
Brugia malayi Probable ClpP-like protease 0.0077 0.1457 0.2738
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.1457 1
Leishmania major hypothetical protein, conserved 0.0075 0.1421 1
Schistosoma mansoni hypothetical protein 0.0395 0.8211 1
Onchocerca volvulus 0.0055 0.1002 0.177
Brugia malayi MAP kinase sur-1 0.005 0.0887 0.1642
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0088 0.01
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0088 0.0107
Schistosoma mansoni hypothetical protein 0.0051 0.0909 0.1107
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.1421 0.2668
Loa Loa (eye worm) hypothetical protein 0.0081 0.1544 0.2902
Onchocerca volvulus 0.0033 0.0524 0.0844
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0088 0.0104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0088 0.0104
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0088 0.0107
Toxoplasma gondii hypothetical protein 0.0026 0.039 0.0077
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0486 0.0592
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0088 0.0104
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0088 0.0107
Onchocerca volvulus 0.0256 0.5255 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.3054 0.3719
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.1421 0.1236
Brugia malayi nuclear hormone receptor 0.0012 0.0088 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0088 0.01
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0665
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0887 0.4864
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1457 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0417 0.0738
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.039 0.1437
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0088 0.0107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.01
Loa Loa (eye worm) beta-lactamase 0.0075 0.1421 0.2665
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.1421 0.2665
Loa Loa (eye worm) hypothetical protein 0.0075 0.1421 0.2665
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0088 0.0107
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0887 0.108
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1199 0.146
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 0.3242 0.6172
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0896 0.07
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 0.1544 0.5
Plasmodium vivax hypothetical protein, conserved 0.0075 0.1421 0.9661
Schistosoma mansoni apoferritin-2 0.0018 0.0211 0.0257
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.1421 0.1236
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.1421 0.173
Schistosoma mansoni ferritin light chain 0.0018 0.0211 0.0257
Echinococcus granulosus geminin 0.0166 0.3348 0.4078
Brugia malayi beta-lactamase 0.0075 0.1421 0.2668
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.1421 1
Schistosoma mansoni hypothetical protein 0.0051 0.0909 0.1107
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0909 0.1107
Schistosoma mansoni coup transcription factor 0.0012 0.0088 0.0107
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0088 0.0107
Schistosoma mansoni hypothetical protein 0.0012 0.0077 0.0093
Loa Loa (eye worm) hypothetical protein 0.0051 0.0909 0.168
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0088 0.0107
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0524 0.0638

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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