Detailed information for compound 1287130

Basic information

Technical information
  • TDR Targets ID: 1287130
  • Name: 4-methyl-N-[2-oxo-1-phenyl-2-(phenylamino)eth yl]benzamide
  • MW: 344.406 | Formula: C22H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)NC(C(=O)Nc1ccccc1)c1ccccc1
  • InChi: 1S/C22H20N2O2/c1-16-12-14-18(15-13-16)21(25)24-20(17-8-4-2-5-9-17)22(26)23-19-10-6-3-7-11-19/h2-15,20H,1H3,(H,23,26)(H,24,25)
  • InChiKey: UGBPZROAJWLIBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-keto-1-phenyl-2-(phenylamino)ethyl]-4-methyl-benzamide
  • N-(2-anilino-2-oxo-1-phenylethyl)-4-methylbenzamide
  • SMR000498420
  • MLS001000464

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0039 0.2865
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0532 0.0536 0.0535
Toxoplasma gondii LsmAD domain-containing protein 0.0159 0.0146 1
Loa Loa (eye worm) RNA binding protein 0.0207 0.0196 0.0577
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.003 1
Leishmania major hypothetical protein, conserved 0.0022 0.0003 0.0183
Loa Loa (eye worm) hypothetical protein 0.008 0.0064 0.0182
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0152 0.0139 0.0137
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0021 0.1267
Echinococcus granulosus Chromo domain 0.0023 0.0004 0.0002
Schistosoma mansoni smad1 5 8 and 0.022 0.0209 0.0208
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.0106 0.8659
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Entamoeba histolytica hypothetical protein 0.0023 0.0004 0.0025
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.003 1
Echinococcus multilocularis tar DNA binding protein 0.0207 0.0196 0.0195
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.003 0.1394
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Trichomonas vaginalis Heterochromatin protein, putative 0.0023 0.0004 0.0106
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.002 0.0019
Echinococcus multilocularis Smad4 0.022 0.0209 0.0208
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0023 0.0004 0.0002
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0064 0.0047 0.308
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0017 0.0995
Schistosoma mansoni hypothetical protein 0.0152 0.0139 0.0137
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0064 0.0047 0.0045
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.003 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Brugia malayi hypothetical protein 0.0532 0.0536 0.1592
Onchocerca volvulus 0.0063 0.0045 0.5289
Schistosoma mansoni chromobox protein 0.0143 0.0129 0.0128
Loa Loa (eye worm) hypothetical protein 0.0098 0.0082 0.0237
Entamoeba histolytica hypothetical protein 0.0095 0.0079 0.143
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0023 0.0004 0.0094
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0021 0.307
Trichomonas vaginalis importin beta-1, putative 0.0095 0.0079 0.6017
Loa Loa (eye worm) TAR-binding protein 0.0207 0.0196 0.0577
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0012 0.0027
Schistosoma mansoni bromodomain containing protein 0.0069 0.0051 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Onchocerca volvulus 0.0048 0.003 0.3274
Schistosoma mansoni hypothetical protein 0.1253 0.129 0.1288
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0481 0.0483 0.1431
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0023 0.0004 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Brugia malayi RNA recognition motif domain containing protein 0.0207 0.0196 0.0577
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0021 0.0019
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0035 0.0033
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0086 0.007 0.8428
Echinococcus multilocularis chromobox protein 1 0.0143 0.0129 0.0128
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0152 0.0139 0.0137
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0023 0.0004 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0143 0.0129 1
Schistosoma mansoni flap endonuclease-1 0.0028 0.0009 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0048 0.003 0.008
Echinococcus granulosus smad 0.022 0.0209 0.0208
Brugia malayi mothers against decapentaplegic homolog 3 0.0098 0.0082 0.0237
Echinococcus multilocularis mothers against decapentaplegic 5 0.022 0.0209 0.0208
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0021 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0023 0.0004 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0204 0.0193 0.0192
Trichomonas vaginalis hypothetical protein 0.0023 0.0004 0.0106
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0064 0.0047 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Loa Loa (eye worm) hypothetical protein 0.0036 0.0017 0.0043
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0047 0.0046
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0021 0.0562
Leishmania major importin beta-1 subunit, putative 0.0095 0.0079 0.5407
Brugia malayi SET domain containing protein 0.0023 0.0004 0.0004
Trypanosoma cruzi PAB1-binding protein , putative 0.0159 0.0146 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0064 0.0047 0.0132
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0021 0.0019
Schistosoma mansoni importin-beta 2 0.0022 0.0003 0.0001
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0012 0.001
Echinococcus multilocularis Chromo domain 0.0023 0.0004 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0207 0.0196 0.0195
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0004 0.0094
Echinococcus granulosus Chromobox protein 3 0.0023 0.0004 0.0002
Loa Loa (eye worm) Smad1 0.022 0.0209 0.0617
Toxoplasma gondii HEAT repeat-containing protein 0.0117 0.0102 0.694
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Brugia malayi MH2 domain containing protein 0.3227 0.3355 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.003 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0008 0.039
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0023 0.0004 0.0094
Loa Loa (eye worm) latrophilin receptor protein 2 0.0152 0.0139 0.0406
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0021 0.1427
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Schistosoma mansoni chromobox protein 0.0143 0.0129 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0204 0.0193 0.0192
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Brugia malayi MH1 domain containing protein 0.022 0.0209 0.0617
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0152 0.0139 0.0137
Giardia lamblia DINP protein human, muc B family 0.004 0.0021 0.2583
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0064 0.0047 0.308
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0004 0.0094
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0204 0.0193 0.0569
Leishmania major GTP-binding protein, putative 0.0064 0.0047 0.3207
Echinococcus multilocularis mothers against decapentaplegic 2 0.0098 0.0082 0.0081
Schistosoma mansoni ran 0.0064 0.0047 0.0045
Loa Loa (eye worm) MH2 domain-containing protein 0.3227 0.3355 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Echinococcus granulosus importin 5 0.0022 0.0003 0.0001
Trichomonas vaginalis chromobox protein, putative 0.0143 0.0129 1
Brugia malayi Flap endonuclease-1 0.0031 0.0012 0.0027
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0064 0.0047 0.308
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0047 0.0046
Schistosoma mansoni hypothetical protein 0.0022 0.0003 0.0001
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0064 0.0047 0.0132
Plasmodium falciparum thioredoxin reductase 0.0053 0.0035 0.2262
Echinococcus granulosus TGF beta signal transducer SmadC 0.022 0.0209 0.0208
Toxoplasma gondii FATC domain-containing protein 0.0027 0.0008 0.0345
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0025
Trypanosoma brucei importin beta-1 subunit, putative 0.0117 0.0102 0.694
Brugia malayi hypothetical protein 0.0103 0.0087 0.0252
Loa Loa (eye worm) hypothetical protein 0.0036 0.0017 0.0043
Loa Loa (eye worm) hypothetical protein 0.0117 0.0102 0.0297
Schistosoma mansoni hypothetical protein 0.0152 0.0139 0.0137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0204 0.0193 0.0192
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0152 0.0139 0.0406
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Loa Loa (eye worm) hypothetical protein 0.0152 0.0139 0.0406
Echinococcus multilocularis Chromobox protein 3 0.0023 0.0004 0.0002
Loa Loa (eye worm) hypothetical protein 0.0036 0.0017 0.0043
Trypanosoma brucei importin beta-1 subunit, putative 0.0117 0.0102 0.694
Echinococcus granulosus Smad4 0.022 0.0209 0.0208
Brugia malayi MH2 domain containing protein 0.022 0.0209 0.0617
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0021 0.0054
Loa Loa (eye worm) nuclear factor I 0.0122 0.0107 0.031
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.003 0.1394
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Schistosoma mansoni hypothetical protein 0.0071 0.0054 0.0053
Trichomonas vaginalis chromobox protein, putative 0.0086 0.007 0.5305
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0012 0.0635
Brugia malayi Latrophilin receptor protein 2 0.0152 0.0139 0.0406
Brugia malayi MH1 domain containing protein 0.0122 0.0107 0.031
Loa Loa (eye worm) heterochromatin protein 1 0.0143 0.0129 0.0378
Schistosoma mansoni chromobox protein 0.0023 0.0004 0.0002
Plasmodium falciparum glutathione reductase 0.0053 0.0035 0.2262
Loa Loa (eye worm) MH2 domain-containing protein 0.0098 0.0082 0.0237
Plasmodium falciparum ataxin-2 like protein, putative 0.0159 0.0146 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.1253 0.129 0.384
Loa Loa (eye worm) hypothetical protein 0.0046 0.0028 0.0075
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.003 1
Schistosoma mansoni tar DNA-binding protein 0.0207 0.0196 0.0195
Brugia malayi CHD4 protein 0.0026 0.0006 0.001
Entamoeba histolytica hypothetical protein 0.0532 0.0536 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0026 0.0006 0.0004
Brugia malayi Thioredoxin reductase 0.0053 0.0035 0.0097
Trypanosoma cruzi PAB1-binding protein , putative 0.0159 0.0146 1
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0035 0.0097
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0071 0.0054 0.0053
Schistosoma mansoni hypothetical protein 0.0532 0.0536 0.0535
Loa Loa (eye worm) MH2 domain-containing protein 0.022 0.0209 0.0617
Loa Loa (eye worm) hypothetical protein 0.0077 0.006 0.017
Brugia malayi latrophilin 2 splice variant baaae 0.0329 0.0323 0.0957
Brugia malayi Bromodomain containing protein 0.0042 0.0023 0.0061
Echinococcus multilocularis translational activator gcn1 0.0022 0.0003 0.0001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0481 0.0483 0.1431
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0005 0.0003
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.5127 0.5343 0.5342
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.0106 0.8659
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.003 0.0505
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0021 0.1433
Echinococcus multilocularis transportin 1 0.0022 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Echinococcus granulosus mothers against decapentaplegic 2 0.0098 0.0082 0.0081
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0021 0.307
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0012 0.0635
Brugia malayi glutathione reductase 0.0053 0.0035 0.0097
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0026 0.0006 0.0004
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.0121 1
Echinococcus granulosus flap endonuclease 1 0.0031 0.0012 0.001
Schistosoma mansoni smad 0.0098 0.0082 0.0081
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0025
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0017 0.0194
Loa Loa (eye worm) hypothetical protein 0.0048 0.003 0.008
Loa Loa (eye worm) hypothetical protein 0.004 0.0021 0.0054
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0012 0.0807
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0481 0.0483 0.1431
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0035 0.2262
Loa Loa (eye worm) hypothetical protein 0.0122 0.0107 0.031
Plasmodium vivax importin-beta 2, putative 0.0117 0.0102 0.694
Echinococcus multilocularis mothers against decapentaplegic 6 0.0098 0.0082 0.0081
Echinococcus granulosus mothers against decapentaplegic 5 0.022 0.0209 0.0208
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0204 0.0193 0.0192
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0012 0.0719
Loa Loa (eye worm) hypothetical protein 0.0159 0.0146 0.0428
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0023 0.0004 0.0004
Schistosoma mansoni Smad4 0.0098 0.0082 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0008 0.0371
Echinococcus granulosus GTP binding nuclear protein Ran 0.0064 0.0047 0.0045
Brugia malayi MH1 domain containing protein 0.0122 0.0107 0.031
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0021 0.1267
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0064 0.0047 0.308
Schistosoma mansoni smad1 5 8 and 0.022 0.0209 0.0208
Mycobacterium tuberculosis Probable reductase 0.0121 0.0106 0.8659
Schistosoma mansoni ran 0.0064 0.0047 0.0045
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Brugia malayi MH1 domain containing protein 0.022 0.0209 0.0617
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0039 0.2865
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0023 0.0004 0.0002
Entamoeba histolytica hypothetical protein 0.0027 0.0008 0.0093
Echinococcus granulosus dna polymerase kappa 0.004 0.0021 0.0019
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.003 0.2028
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0027 0.0008 0.0345
Echinococcus multilocularis serine protein kinase ATM 0.0027 0.0008 0.0006
Schistosoma mansoni smad1 5 8 and 0.022 0.0209 0.0208
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0106
Plasmodium falciparum ataxin-2 like protein, putative 0.0159 0.0146 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0098 0.0082 0.0081
Schistosoma mansoni transcription factor LCR-F1 0.0532 0.0536 0.0535
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0035 0.1912
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0012 0.0807
Echinococcus granulosus importin subunit beta 1 0.0117 0.0102 0.0101
Brugia malayi RNA, U transporter 1 0.0334 0.0328 0.0972
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.0121 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.003 1
Trypanosoma brucei unspecified product 0.0027 0.0008 0.0371
Trichomonas vaginalis chromobox protein, putative 0.0023 0.0004 0.0106
Leishmania major DNA polymerase kappa, putative 0.004 0.0021 0.1427
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0021 0.1267
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0021 0.0054
Brugia malayi chromobox protein homolog 3 0.008 0.0064 0.0182
Echinococcus granulosus transportin 1 0.0022 0.0003 0.0001
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0021 0.0054
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0106
Brugia malayi Valyl-tRNA synthetase 0.0023 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0329 0.0323 0.0322
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0023 0.0004 0.0094
Trypanosoma brucei unspecified product 0.0027 0.0008 0.0371
Leishmania major hypothetical protein, conserved 0.0159 0.0146 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0025
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0021 0.1427
Brugia malayi Associated with TFs and helicases family protein 0.0023 0.0004 0.0004
Entamoeba histolytica hypothetical protein 0.0532 0.0536 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0204 0.0193 0.0192
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0003
Schistosoma mansoni smad 0.022 0.0209 0.0208
Brugia malayi MH2 domain containing protein 0.0098 0.0082 0.0237
Mycobacterium ulcerans hypothetical protein 0.0048 0.003 1
Plasmodium vivax glutathione reductase, putative 0.0053 0.0035 0.2262
Schistosoma mansoni hypothetical protein 0.0152 0.0139 0.0137
Loa Loa (eye worm) hypothetical protein 0.0048 0.003 0.008
Brugia malayi AMP-binding enzyme family protein 0.0048 0.003 0.008
Loa Loa (eye worm) transcription factor SMAD2 0.3227 0.3355 1
Schistosoma mansoni tar DNA-binding protein 0.0207 0.0196 0.0195
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0003 0.0001
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0023 0.0004 0.0094
Schistosoma mansoni tar DNA-binding protein 0.0207 0.0196 0.0195
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0064 0.0047 0.3207
Schistosoma mansoni tar DNA-binding protein 0.0207 0.0196 0.0195
Schistosoma mansoni importin beta-1 0.0117 0.0102 0.0101
Brugia malayi hypothetical protein 0.0159 0.0146 0.0428
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0012 0.0171
Loa Loa (eye worm) hypothetical protein 0.0036 0.0017 0.0043
Brugia malayi Protein cec-1. 0.0023 0.0004 0.0004
Echinococcus granulosus GPCR family 2 0.0152 0.0139 0.0137
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.0106 0.8659
Echinococcus granulosus dna polymerase eta 0.004 0.0021 0.0019
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0098 0.0082 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.003 0.008
Brugia malayi Heterochromatin protein 1 0.0143 0.0129 0.0378
Echinococcus multilocularis chromobox protein 2 0.0023 0.0004 0.0002
Brugia malayi Importin beta-1 subunit 0.0117 0.0102 0.0297
Schistosoma mansoni hypothetical protein 0.0023 0.0004 0.0002
Echinococcus multilocularis chromobox protein 1 0.0143 0.0129 0.0128
Loa Loa (eye worm) hypothetical protein 0.0048 0.003 0.008
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0017 0.0995
Loa Loa (eye worm) glutathione reductase 0.0053 0.0035 0.0097
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0095 0.0079 0.6017
Loa Loa (eye worm) hypothetical protein 0.0063 0.0045 0.0127
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0008 0.0371
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0012 0.0635
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.003 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0026 0.0006 0.001
Echinococcus granulosus chromobox protein 2 0.0023 0.0004 0.0002
Echinococcus granulosus snurportin 1 0.1253 0.129 0.1288
Echinococcus multilocularis GPCR, family 2 0.0152 0.0139 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Brugia malayi Bromodomain containing protein 0.0081 0.0065 0.0185
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0064 0.4801
Loa Loa (eye worm) MH1 domain-containing protein 0.022 0.0209 0.0617
Entamoeba histolytica hypothetical protein 0.0532 0.0536 1
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0021 0.1267
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.002 0.0019
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0021 0.1427
Schistosoma mansoni chromobox protein 0.0023 0.0004 0.0002
Echinococcus multilocularis dna polymerase kappa 0.004 0.0021 0.0019
Plasmodium vivax ataxin-2 like protein, putative 0.0159 0.0146 1
Echinococcus granulosus chromobox protein 1 0.0143 0.0129 0.0128
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Echinococcus multilocularis TGF beta signal transducer SmadC 0.022 0.0209 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0204 0.0193 0.0192
Loa Loa (eye worm) hypothetical protein 0.0044 0.0026 0.0069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0027 0.0008 0.0015
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0021 0.1427
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0064 0.4801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0204 0.0193 0.0192
Brugia malayi M-phase phosphoprotein, mpp8 0.0023 0.0004 0.0004
Echinococcus granulosus tar DNA binding protein 0.0207 0.0196 0.0195
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.0121 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0017 0.5
Entamoeba histolytica Ran family GTPase 0.0064 0.0047 0.0828
Loa Loa (eye worm) hypothetical protein 0.0036 0.0017 0.0043
Entamoeba histolytica hypothetical protein 0.0532 0.0536 1
Echinococcus granulosus translational activator gcn1 0.0022 0.0003 0.0001
Echinococcus multilocularis smad 0.022 0.0209 0.0208
Echinococcus multilocularis importin subunit beta 1 0.0117 0.0102 0.0101
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0095 0.0079 0.6017
Brugia malayi RNA binding protein 0.0207 0.0196 0.0577
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0023 0.0004 0.0002
Brugia malayi PHD-finger family protein 0.0027 0.0008 0.0015
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.003 0.2028
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0532 0.0536 0.0535
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0035 0.2403
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0071 0.0054 0.0053
Schistosoma mansoni TGF-beta signal transducer Smad2 0.022 0.0209 0.0208
Echinococcus multilocularis snurportin 1 0.1253 0.129 0.1288
Loa Loa (eye worm) hypothetical protein 0.0481 0.0483 0.1431
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.003 0.0505
Brugia malayi Smad1 0.022 0.0209 0.0617
Toxoplasma gondii thioredoxin reductase 0.0053 0.0035 0.2262
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0035 0.0033
Trichomonas vaginalis ran, putative 0.0064 0.0047 0.3483
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0021 0.1267
Schistosoma mansoni DNA polymerase eta 0.004 0.0021 0.0019
Plasmodium falciparum heterochromatin protein 1 0.0023 0.0004 0.0094
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0021 0.0562
Echinococcus multilocularis importin 5 0.0022 0.0003 0.0001
Loa Loa (eye worm) helicase 0.0023 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0152 0.0139 0.0137
Trypanosoma brucei unspecified product 0.004 0.0021 0.1267
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0207 0.0196 0.0577
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.003 0.2028
Trichomonas vaginalis chromobox protein, putative 0.0086 0.007 0.5305
Entamoeba histolytica hypothetical protein 0.0023 0.0004 0.0025
Echinococcus granulosus serine protein kinase ATM 0.0027 0.0008 0.0006
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0106
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.0121 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0021 0.0019
Trichomonas vaginalis chromobox protein, putative 0.0023 0.0004 0.0106
Leishmania major trypanothione reductase 0.0053 0.0035 0.2403
Loa Loa (eye worm) hypothetical protein 0.0329 0.0323 0.0957
Entamoeba histolytica hypothetical protein 0.0023 0.0004 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0004 0.0106
Echinococcus multilocularis dna polymerase eta 0.004 0.0021 0.0019
Schistosoma mansoni Smad4 0.022 0.0209 0.0208
Plasmodium falciparum importin beta, putative 0.0117 0.0102 0.694
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0008 0.0371
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0106
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.0106 0.8659
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.0004 0.0252
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0021 0.1433
Brugia malayi TAR-binding protein 0.0207 0.0196 0.0577
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0121 0.0106 0.8442
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0021 0.034
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.0006 0.0004
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0005 0.0003
Loa Loa (eye worm) hypothetical protein 0.0042 0.0023 0.0061
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0064 0.0047 0.3207
Brugia malayi MH2 domain containing protein 0.022 0.0209 0.0617
Onchocerca volvulus Heterochromatin protein 1 homolog 0.008 0.0064 0.7611
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.003 0.0505
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0204 0.0193 0.0569
Schistosoma mansoni Smad4 0.0098 0.0082 0.0081
Brugia malayi hypothetical protein 0.0023 0.0004 0.0004
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0021 0.1427
Loa Loa (eye worm) MH1 domain-containing protein 0.0098 0.0082 0.0237
Trypanosoma brucei trypanothione reductase 0.0053 0.0035 0.2262
Trypanosoma cruzi importin beta-1 subunit, putative 0.0095 0.0079 0.5407
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.0106 0.8659
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0005 0.0003
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0021 0.1427
Trichomonas vaginalis chromobox protein, putative 0.0023 0.0004 0.0106
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0004 0.0106
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0027 0.0008 0.0522
Plasmodium vivax heterochromatin protein 1, putative 0.0023 0.0004 0.0094
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0004 0.0106
Leishmania major DNA polymerase eta, putative 0.004 0.0021 0.1427
Echinococcus granulosus chromobox protein 1 0.0143 0.0129 0.0128
Plasmodium falciparum flap endonuclease 1 0.0031 0.0012 0.0635
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0023 0.0004 0.0094
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0152 0.0139 0.0137
Trypanosoma brucei PAB1-binding protein , putative 0.0159 0.0146 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0027 0.0008 0.0006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 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: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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