Detailed information for compound 1249551

Basic information

Technical information
  • TDR Targets ID: 1249551
  • Name: (2S)-N-methyl-N'-[(2S)-3-phenyl-2-(4-phenylbu tylamino)propyl]pentane-1,2-diamine
  • MW: 381.597 | Formula: C25H39N3
  • H donors: 3 H acceptors: 0 LogP: 4.95 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC[C@H](NC[C@H](Cc1ccccc1)NCCCCc1ccccc1)CNC
  • InChi: 1S/C25H39N3/c1-3-12-24(20-26-2)28-21-25(19-23-16-8-5-9-17-23)27-18-11-10-15-22-13-6-4-7-14-22/h4-9,13-14,16-17,24-28H,3,10-12,15,18-21H2,1-2H3/t24-,25-/m0/s1
  • InChiKey: UEOAPMLSZIWDGW-DQEYMECFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1S)-1-(methylaminomethyl)butyl]-[(2S)-3-phenyl-2-(4-phenylbutylamino)propyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0013 0.0044 0.0039
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0044 0.0039
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.014 0.0162
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.059 0.0691
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0015 0.0077 0.0088
Schistosoma mansoni chromobox protein 0.0081 0.1165 0.136
Schistosoma mansoni hypothetical protein 0.0494 0.8005 0.9421
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0044 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.059 0.0691
Schistosoma mansoni smad1 5 8 and 0.0042 0.0518 0.0598
Trichomonas vaginalis dullard protein, putative 0.0013 0.0045 0.001
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1043 0.1217
Leishmania major hypothetical protein, conserved 0.0025 0.024 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0913 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.024 1
Echinococcus granulosus smad 0.0042 0.0518 0.0607
Trypanosoma brucei unspecified product 0.0022 0.0196 0.7744
Onchocerca volvulus 0.0036 0.0413 0.6276
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1043 0.1216
Loa Loa (eye worm) hypothetical protein 0.0036 0.0413 0.0411
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0045 0.001
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0134 0.0134
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0196 0.0228
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0518 0.0607
Giardia lamblia DINP protein human, muc B family 0.0022 0.0196 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0196 0.7744
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0015 0.0077 0.0088
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0306 0.4894 0.5
Leishmania major DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0013 0.0044 0.0049
Brugia malayi Smad1 0.0042 0.0518 0.0518
Schistosoma mansoni cpg binding protein 0.0035 0.0399 0.0457
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0013 0.0045 0.0002
Schistosoma mansoni cpg binding protein 0.0037 0.0432 0.0496
Schistosoma mansoni Smad4 0.0019 0.0134 0.0146
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0196 0.7744
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0044 0.0044
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Brugia malayi MH1 domain containing protein 0.0042 0.0518 0.0518
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.024 0.0404
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0196 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0081 0.1827
Echinococcus multilocularis Chromo domain 0.0013 0.0044 0.0049
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.059 0.0691
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0506 0.0506
Brugia malayi RNA binding protein 0.0074 0.1043 0.1043
Brugia malayi MH2 domain containing protein 0.0042 0.0518 0.0518
Schistosoma mansoni DNA polymerase eta 0.0022 0.0196 0.0218
Echinococcus granulosus dna polymerase eta 0.0022 0.0196 0.0228
Loa Loa (eye worm) hypothetical protein 0.0041 0.0506 0.0504
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0399 0.0397
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Brugia malayi M-phase phosphoprotein, mpp8 0.0013 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0081 0.1827
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0011 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0081 0.1827
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0196 0.0228
Schistosoma mansoni smad 0.0019 0.0134 0.0146
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0013 0.0044 0.0049
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0518 0.0516
Echinococcus granulosus cpg binding protein 0.0037 0.0432 0.0506
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0174 0.1161
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.014 0.0138
Loa Loa (eye worm) helicase 0.0013 0.0044 0.0042
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.1043 0.1043
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0013 0.0045 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1043 0.1217
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0633 0.5254
Echinococcus multilocularis geminin 0.0524 0.8496 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0432 0.0506
Schistosoma mansoni chromobox protein 0.0081 0.1165 0.136
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1043 0.1217
Schistosoma mansoni hypothetical protein 0.0524 0.8496 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0822 0.0819
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0174 0.1161
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1043 0.1217
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0013 0.0045 0.004
Loa Loa (eye worm) MH2 domain-containing protein 0.0614 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8005 0.9422
Echinococcus granulosus geminin 0.0524 0.8496 1
Schistosoma mansoni Smad4 0.0042 0.0518 0.0598
Brugia malayi Heterochromatin protein 1 0.0081 0.1165 0.1165
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0134 0.0132
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.024 0.2254
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0045 0.001
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8005 0.9422
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0013 0.0045 0.0071
Trichomonas vaginalis dullard protein, putative 0.0013 0.0045 0.001
Schistosoma mansoni chromobox protein 0.0013 0.0044 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1043 0.1217
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.024 1
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0152
Loa Loa (eye worm) TAR-binding protein 0.0074 0.1043 0.1041
Echinococcus granulosus chromobox protein 2 0.0013 0.0044 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0356 0.2789
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.014 0.014
Echinococcus granulosus Chromo domain 0.0013 0.0044 0.0049
Trichomonas vaginalis chromobox protein, putative 0.0081 0.1165 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Echinococcus multilocularis GPCR, family 2 0.0019 0.014 0.0162
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0633 0.5254
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0518 0.0607
Schistosoma mansoni smad 0.0042 0.0518 0.0598
Loa Loa (eye worm) RNA binding protein 0.0074 0.1043 0.1041
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0196 0.0194
Echinococcus granulosus Chromobox protein 3 0.0013 0.0044 0.0049
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0822 0.0822
Trichomonas vaginalis chromobox protein, putative 0.0081 0.1165 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0576 0.9031
Brugia malayi hypothetical protein 0.0013 0.0044 0.0044
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0196 0.1355
Schistosoma mansoni hypothetical protein 0.0524 0.8496 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Brugia malayi chromobox protein homolog 3 0.0045 0.0576 0.0576
Schistosoma mansoni smad1 5 8 and 0.0042 0.0518 0.0598
Loa Loa (eye worm) hypothetical protein 0.0045 0.0576 0.0574
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0196 0.7744
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0196 0.0218
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.024 0.0404
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Brugia malayi hypothetical protein 0.0025 0.024 0.024
Trypanosoma brucei unspecified product 0.0015 0.0081 0.1827
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.059 0.059
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0044 0.0049
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.0013 0.0045 0.005
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0013 0.0045 0.0002
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0518 0.0607
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0196 0.0218
Brugia malayi hypothetical protein 0.0016 0.0093 0.0093
Echinococcus granulosus Smad4 0.0042 0.0518 0.0607
Loa Loa (eye worm) hypothetical protein 0.0019 0.0134 0.0132
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0174 0.1161
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0152
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0013 0.0045 0.004
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.024 1
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0045 0.001
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0518 0.0516
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Echinococcus granulosus CTD small phosphatase protein like 0.0013 0.0045 0.005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.014 0.0162
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0518 0.0607
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.059 0.0587
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.024 0.0404
Brugia malayi SET domain containing protein 0.0014 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0152
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.1043 0.1041
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.059 0.0682
Brugia malayi TAR-binding protein 0.0074 0.1043 0.1043
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0306 0.4894 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0399 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0356 0.2789
Loa Loa (eye worm) nuclear factor I 0.0023 0.0208 0.0206
Echinococcus multilocularis tar DNA binding protein 0.0074 0.1043 0.1225
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0576 0.4746
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0015 0.0077 0.0078
Schistosoma mansoni Smad4 0.0019 0.0134 0.0146
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0306 0.4894 1
Brugia malayi MH1 domain containing protein 0.0023 0.0208 0.0208
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0104 0.0538
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.014 0.0162
Onchocerca volvulus 0.0014 0.0056 0.0213
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.0134 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.059 0.0682
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0045 0.001
Treponema pallidum hypothetical protein 0.0306 0.4894 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0174 0.1161
Trichomonas vaginalis dullard protein, putative 0.0013 0.0045 0.001
Echinococcus multilocularis dna polymerase eta 0.0022 0.0196 0.0228
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0134 0.0132
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.0134 0.0156
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Echinococcus granulosus tar DNA binding protein 0.0074 0.1043 0.1225
Brugia malayi MH1 domain containing protein 0.0023 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0022 0.0196 0.0194
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0206
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.0134 0.0156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0822 0.0822
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0114 0.0623
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0019 0.0134 0.1537
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0306 0.4894 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0196 0.7744
Onchocerca volvulus 0.0035 0.0399 0.6028
Brugia malayi Latrophilin receptor protein 2 0.0019 0.014 0.014
Brugia malayi MH2 domain containing protein 0.0019 0.0134 0.0134
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0013 0.0045 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.059 0.0691
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0114 0.0623
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.1165 0.1163
Loa Loa (eye worm) hypothetical protein 0.0019 0.014 0.0138
Echinococcus multilocularis 0.0013 0.0045 0.005
Trypanosoma brucei unspecified product 0.0015 0.0081 0.1827
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0196 0.7744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.059 0.0682
Echinococcus granulosus chromobox protein 1 0.0081 0.1165 0.1369
Echinococcus granulosus chromobox protein 1 0.0081 0.1165 0.1369
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0056 0.0054
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0196 0.1355
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0306 0.4894 1
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0013 0.0044 0.0044
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.014 0.0162
Schistosoma mansoni smad1 5 8 and 0.0042 0.0518 0.0598
Loa Loa (eye worm) hypothetical protein 0.0025 0.024 0.0237
Schistosoma mansoni cpg binding protein 0.0037 0.0432 0.0496
Loa Loa (eye worm) hypothetical protein 0.0013 0.0045 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0576 0.4746
Schistosoma mansoni hypothetical protein 0.0041 0.0506 0.0584
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.0134 0.0156
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0174 0.1161
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0196 0.0228
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0152
Echinococcus multilocularis chromobox protein 2 0.0013 0.0044 0.0049
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0044 0.0039
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0196 0.0196
Schistosoma mansoni hypothetical protein 0.0013 0.0042 0.0037
Loa Loa (eye worm) CHromoDomain protein family member 0.0015 0.0077 0.0074
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0042
Loa Loa (eye worm) Smad1 0.0042 0.0518 0.0516
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0518 0.0598
Brugia malayi Valyl-tRNA synthetase 0.0013 0.0044 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0174 0.1161
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0196 0.0196
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0196 0.7744
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Brugia malayi MH1 domain containing protein 0.0042 0.0518 0.0518
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0196 0.7744
Schistosoma mansoni chromobox protein 0.0013 0.0044 0.0039
Brugia malayi CHD4 protein 0.0015 0.0077 0.0077
Brugia malayi MH2 domain containing protein 0.0042 0.0518 0.0518
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0822 0.0819
Echinococcus multilocularis chromobox protein 1 0.0081 0.1165 0.1369
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0633 1
Echinococcus multilocularis smad 0.0042 0.0518 0.0607
Brugia malayi Protein cec-1. 0.0013 0.0044 0.0044
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0013 0.0045 0.0002
Echinococcus multilocularis chromobox protein 1 0.0081 0.1165 0.1369
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0011 0.001
Loa Loa (eye worm) transcription factor SMAD2 0.0614 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0174 0.1161
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0174 0.1161
Echinococcus granulosus GPCR family 2 0.0019 0.014 0.0162
Leishmania major DNA polymerase eta, putative 0.0022 0.0196 0.7744
Echinococcus granulosus dna polymerase kappa 0.0022 0.0196 0.0228
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.0013 0.0045 0.005
Echinococcus multilocularis Smad4 0.0042 0.0518 0.0607

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 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) 1.6511 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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) 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
Homo sapiens ChEMBL23
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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