Detailed information for compound 253078

Basic information

Technical information
  • TDR Targets ID: 253078
  • Name: 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)ace tamide
  • MW: 306.358 | Formula: C19H18N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)c1c[nH]c2c1cccc2)NCCCc1ccccc1
  • InChi: 1S/C19H18N2O2/c22-18(16-13-21-17-11-5-4-10-15(16)17)19(23)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,21H,6,9,12H2,(H,20,23)
  • InChiKey: GOYJKJWZABKDJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)ethanamide
  • 2-(1H-indol-3-yl)-2-keto-N-(3-phenylpropyl)acetamide
  • ZINC04163174

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Bos taurus GABA-A receptor; anion channel Starlite/ChEMBL References
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi MH2 domain containing protein 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
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis Cys loop ligand gated ion channel subunit GABA-A receptor; anion channel   555 aa 583 aa 25.4 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Onchocerca volvulus GABA-A receptor; anion channel   555 aa 516 aa 25.4 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Onchocerca volvulus GABA-A receptor; anion channel   555 aa 466 aa 31.3 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Echinococcus granulosus Cys loop ligand gated ion channel subunit GABA-A receptor; anion channel   555 aa 578 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi amine oxidase, flavin-containing family protein 0.0077 0.0058 0.0051
Schistosoma mansoni serine/threonine protein kinase 0.0242 0.0248 0.0414
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.3002 0.3421 0.4634
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0049 0.0026 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Echinococcus granulosus nmda type glutamate receptor 0.0115 0.0102 0.0129
Giardia lamblia High cysteine membrane protein Group 2 0.1818 0.206 1
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0214 0.0216 0.5197
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Echinococcus multilocularis fibrillin 2 0.0197 0.0197 0.0258
Loa Loa (eye worm) hypothetical protein 0.0197 0.0197 0.019
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0231 0.0235 0.0392
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0081 0.0063 0.2908
Loa Loa (eye worm) reprolysin 0.0231 0.0235 0.0229
Brugia malayi Integrin alpha pat-2 precursor 0.2219 0.2521 0.2516
Giardia lamblia Furin precursor putative serine protease 0.0969 0.1084 0.4763
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0064 0.0043 0.0062
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0054 0.0032 0.1477
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0054 0.0032 0.1477
Brugia malayi Disintegrin family protein 0.0096 0.008 0.0073
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0049 0.0026 0.0026
Toxoplasma gondii subtilisin SUB8 0.0214 0.0216 1
Plasmodium vivax subtilisin-like protease 2, putative 0.0214 0.0216 1
Loa Loa (eye worm) metalloprotease 0.0064 0.0043 0.0037
Loa Loa (eye worm) hypothetical protein 0.0064 0.0043 0.0037
Mycobacterium tuberculosis Possible oxidoreductase 0.0054 0.0032 0.1477
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1184 0.133 0.3667
Mycobacterium ulcerans monoamine oxidase 0.0054 0.0032 0.1477
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0053 0.003 0.1393
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Echinococcus multilocularis 0.3952 0.4513 0.6116
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.0291
Brugia malayi angiogenesis inhibito 0.0135 0.0125 0.0118
Schistosoma mansoni integrin beta subunit 0.5102 0.5835 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.007 0.005 0.2322
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.4921 0.5627 0.9644
Loa Loa (eye worm) hypothetical protein 0.0135 0.0125 0.0119
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0053 0.003 0.1393
Loa Loa (eye worm) hypothetical protein 0.1339 0.1509 0.1503
Mycobacterium ulcerans Type I modular polyketide synthase 0.0081 0.0063 0.2908
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0049 0.0026 0.0026
Toxoplasma gondii histone lysine-specific demethylase 0.0054 0.0032 0.068
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0969 0.1084 0.2921
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.0291
Toxoplasma gondii type I fatty acid synthase, putative 0.0086 0.0069 0.2548
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1569 0.1774 0.1769
Loa Loa (eye worm) hypothetical protein 0.0214 0.0216 0.021
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.006 0.0039 0.1808
Echinococcus granulosus integrin alpha ps 0.1176 0.1321 0.1784
Loa Loa (eye worm) hypothetical protein 0.0096 0.008 0.0073
Brugia malayi ADAM-TS Spacer 1 family protein 0.0135 0.0125 0.0118
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Mycobacterium ulcerans polyketide synthase 0.0086 0.0069 0.3186
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0086 0.0069 0.3186
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0054 0.0032 0.1477
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0721 0.0798 0.1074
Echinococcus multilocularis glutamate receptor 2 0.0049 0.0026 0.0026
Brugia malayi EGF-like domain containing protein 0.0197 0.0197 0.019
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0156 0.0149 0.0143
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0214 0.0216 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0191 0.8824
Echinococcus granulosus glutamate NMDA receptor subunit 0.0272 0.0282 0.0374
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.0389 1
Echinococcus multilocularis neuroendocrine convertase 2 0.3103 0.3537 0.4792
Toxoplasma gondii subtilisin SUB2 0.0214 0.0216 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0115 0.0102 0.0129
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0197 0.0197 0.0232
Mycobacterium ulcerans polyketide synthase 0.0081 0.0063 0.2908
Loa Loa (eye worm) hypothetical protein 0.1692 0.1915 0.1909
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0081 0.0063 0.2908
Echinococcus granulosus integrin alpha 3 0.1646 0.1862 0.2519
Chlamydia trachomatis glutamine binding protein 0.0083 0.0065 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0123 0.0111 0.512
Loa Loa (eye worm) hypothetical protein 0.0648 0.0715 0.0709
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0214 0.0216 0.0209
Mycobacterium ulcerans thioesterase 0.007 0.005 0.2322
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0214 0.0216 1
Plasmodium falciparum subtilisin-like protease 3 0.0214 0.0216 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0052 0.0045
Schistosoma mansoni protein kinase 0.0133 0.0122 0.0199
Loa Loa (eye worm) WD40 repeat protein 0.0131 0.012 0.0114
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0042 0.0358
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0086 0.0069 0.3186
Schistosoma mansoni hypothetical protein 0.0058 0.0036 0.005
Mycobacterium leprae Possible secreted protease 0.0214 0.0216 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0214 0.0216 0.0359
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.0389 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0054 0.0032 0.068
Toxoplasma gondii aspartyl protease ASP5 0.0115 0.0101 0.4205
Echinococcus multilocularis fibrillin 1 0.0211 0.0212 0.0279
Mycobacterium tuberculosis Conserved hypothetical protein 0.0054 0.0032 0.1477
Brugia malayi Subtilase family protein 0.0214 0.0216 0.0209
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0086 0.0069 0.3186
Loa Loa (eye worm) hypothetical protein 0.0197 0.0197 0.019
Mycobacterium leprae Polyketide synthase Pks13 0.0123 0.0111 0.512
Loa Loa (eye worm) hypothetical protein 0.0231 0.0235 0.0229
Toxoplasma gondii subtilisin SUB10 0.0214 0.0216 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0083 0.0065 1
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1184 0.133 0.3667
Trypanosoma cruzi UDP-galactopyranose mutase 0.0054 0.0032 0.0091
Loa Loa (eye worm) integrin alpha pat-2 0.3186 0.3632 0.3628
Loa Loa (eye worm) fatty acid synthase 0.0083 0.0065 0.0059
Schistosoma mansoni hypothetical protein 0.0527 0.0576 0.0977
Echinococcus granulosus adam 0.05 0.0544 0.0729
Mycobacterium ulcerans polyketide synthase Pks9 0.0053 0.003 0.1393
Brugia malayi Reprolysin 0.0135 0.0125 0.0118
Echinococcus multilocularis membrane bound transcription factor site 1 0.0214 0.0216 0.0284
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0065 0.0044 0.2034
Echinococcus multilocularis integrin alpha ps 0.0527 0.0576 0.0773
Brugia malayi Stress-activated protein kinase jnk-1 0.0242 0.0248 0.0241
Echinococcus multilocularis Furin 1 0.1184 0.133 0.1797
Schistosoma mansoni furin-1 (S08 family) 0.2134 0.2423 0.4145
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0302 0.0317 0.0533
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0078 0.006 0.0054
Loa Loa (eye worm) hypothetical protein 0.0077 0.0058 0.0051
Echinococcus multilocularis protein will die slowly 0.0131 0.012 0.0154
Brugia malayi hypothetical protein 0.0302 0.0317 0.0311
Echinococcus granulosus Furin 1 0.1184 0.133 0.1797
Mycobacterium ulcerans thioesterase TesA 0.007 0.005 0.2322
Onchocerca volvulus 0.0289 0.0302 1
Schistosoma mansoni hypothetical protein 0.0058 0.0036 0.005
Echinococcus multilocularis protein jagged 2 0.0197 0.0197 0.0258
Loa Loa (eye worm) hypothetical protein 0.0044 0.002 0.0014
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0214 0.0216 1
Trichomonas vaginalis hypothetical protein 0.0969 0.1084 0.2921
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0066 0.0045 0.2093
Schistosoma mansoni apoptosis regulator bax 0.0058 0.0036 0.005
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0096 0.008 0.0099
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0214 0.0216 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0214 0.0216 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Brugia malayi SWIRM domain containing protein 0.0289 0.0302 0.0295
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0116 0.0103 0.0097
Schistosoma mansoni glutamate receptor NMDA 0.0049 0.0026 0.0033
Loa Loa (eye worm) hypothetical protein 0.0058 0.0036 0.0029
Toxoplasma gondii subtilisin SUB9 0.0214 0.0216 1
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Echinococcus granulosus epidermal growth factor receptor 0.0252 0.0259 0.0343
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0214 0.0216 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0032 0.0026
Loa Loa (eye worm) subtilase 0.0214 0.0216 0.021
Trichomonas vaginalis hypothetical protein 0.0197 0.0197 0.0232
Echinococcus multilocularis epidermal growth factor receptor 0.0252 0.0259 0.0343
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0058 0.0036 0.005
Loa Loa (eye worm) hypothetical protein 0.1569 0.1774 0.1769
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0048 0.0025 0.1138
Trypanosoma brucei subtilisin peptidase 0.0214 0.0216 0.5197
Plasmodium vivax subtilisin-like protease 1 0.0214 0.0216 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0081 0.0063 0.0056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0214 0.0216 1
Toxoplasma gondii subtilisin SUB7 0.0214 0.0216 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0133 0.0122 0.0157
Loa Loa (eye worm) kelch domain-containing protein family protein 0.1346 0.1517 0.1512
Brugia malayi hypothetical protein 0.0054 0.0032 0.0025
Toxoplasma gondii subtilisin SUB6 0.0214 0.0216 1
Echinococcus granulosus membrane bound transcription factor site 1 0.0214 0.0216 0.0284
Echinococcus granulosus disintegrin and metalloproteinase 0.0096 0.008 0.0099
Mycobacterium leprae Probable polyketide synthase Pks1 0.0086 0.0069 0.3186
Loa Loa (eye worm) hypothetical protein 0.4921 0.5627 0.5625
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0054 0.0032 0.1477
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0389 1
Echinococcus granulosus geminin 0.0205 0.0205 0.0269
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0123 0.0111 0.512
Brugia malayi EGF-like domain containing protein 0.0197 0.0197 0.019
Echinococcus granulosus lysine specific histone demethylase 1A 0.0054 0.0032 0.0034
Brugia malayi proprotein convertase 2 0.3103 0.3537 0.3533
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0065 0.0044 0.2034
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.0291
Onchocerca volvulus Fatty acid synthase homolog 0.0151 0.0144 0.3524
Echinococcus multilocularis 0.0054 0.0032 0.0034
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0231 0.0235 0.031
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0081 0.0063 0.2931
Echinococcus granulosus fibrillin 1 0.0198 0.0197 0.0259
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0058 0.0036 0.004
Toxoplasma gondii hypothetical protein 0.0197 0.0197 0.9018
Plasmodium vivax plasmepsin V, putative 0.0126 0.0114 0.4481
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0083 0.0065 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0086 0.0069 0.3186
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0086 0.0069 0.3186
Schistosoma mansoni glutamate receptor NMDA 0.0272 0.0282 0.0472
Mycobacterium ulcerans oxidoreductase 0.0054 0.0032 0.1477
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0135 0.0129
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.1184 0.133 0.2271
Echinococcus granulosus furin 0.4921 0.5627 0.7629
Toxoplasma gondii hypothetical protein 0.0059 0.0037 0.0953
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Echinococcus multilocularis integrin alpha 3 0.1646 0.1862 0.2519
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.007 0.005 0.2322
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.0291
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0214 0.0216 0.0284
Toxoplasma gondii subtilisin SUB4 0.0214 0.0216 1
Schistosoma mansoni hypothetical protein 0.0205 0.0205 0.034
Echinococcus multilocularis adam 0.05 0.0544 0.0729
Loa Loa (eye worm) integrin beta-2 0.8724 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0135 0.0129
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0214 0.0216 0.0209
Schistosoma mansoni integrin alpha-ps 0.11 0.1234 0.2106
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0168 0.3815
Loa Loa (eye worm) hypothetical protein 0.1119 0.1256 0.125
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0049 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.1919 0.2176 0.2171
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0086 0.0069 0.3186
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0242 0.0248 0.0327
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0096 0.008 0.0099
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0221 0.0224 0.5423
Mycobacterium ulcerans Type I modular polyketide synthase 0.0081 0.0063 0.2908
Toxoplasma gondii type I fatty acid synthase, putative 0.006 0.0038 0.101
Onchocerca volvulus 0.0197 0.0197 0.5685
Schistosoma mansoni protein kinase 0.0133 0.0122 0.0199
Echinococcus multilocularis disintegrin and metalloproteinase 0.0096 0.008 0.0099
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Onchocerca volvulus 0.0131 0.012 0.255
Loa Loa (eye worm) hypothetical protein 0.0289 0.0302 0.0296
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3002 0.3421 1
Loa Loa (eye worm) endoprotease bli-4 0.4921 0.5627 0.5625
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0266 0.0276 0.0365
Plasmodium falciparum subtilisin-like protease 2 0.0214 0.0216 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0252 0.0259 0.0253
Brugia malayi EGF-like domain containing protein 0.0197 0.0197 0.019
Schistosoma mansoni site-1 peptidase (S08 family) 0.0214 0.0216 0.0359
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0389 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0058 0.0036 0.004
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0081 0.0063 0.2908
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0214 0.0216 1
Schistosoma mansoni hypothetical protein 0.0131 0.012 0.0194
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1184 0.133 0.3667
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0168 0.3871
Onchocerca volvulus 0.0078 0.006 0.0088
Trypanosoma cruzi subtilisin peptidase 0.0214 0.0216 0.5197
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0214 0.0216 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0214 0.0216 0.0359
Echinococcus multilocularis protoporphyrinogen oxidase 0.0054 0.0032 0.0034
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1184 0.133 0.3667
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0231 0.0235 0.031
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3002 0.3421 1
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0214 0.0216 0.0359
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0049 0.0026 0.0026
Plasmodium falciparum plasmepsin V 0.0126 0.0114 0.4481
Toxoplasma gondii subtilisin SUB12 0.0214 0.0216 1
Echinococcus granulosus protein will die slowly 0.0131 0.012 0.0154
Toxoplasma gondii subtilisin SUB1 0.0214 0.0216 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0221 0.0224 0.5423
Loa Loa (eye worm) hypothetical protein 0.0603 0.0663 0.0657
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0123 0.0111 0.512
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.0291
Loa Loa (eye worm) proprotein convertase 2 0.1184 0.133 0.1325
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0721 0.0798 0.1074
Mycobacterium ulcerans hypothetical protein 0.0192 0.0191 0.8824
Plasmodium falciparum subtilisin-like protease 1 0.0214 0.0216 1
Echinococcus multilocularis nmda type glutamate receptor 0.0115 0.0102 0.0129
Schistosoma mansoni integrin alpha 0.2219 0.2521 0.4314
Plasmodium vivax subtilisin-like serine protease, putative 0.0214 0.0216 1
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0969 0.1084 0.2921
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0049 0.0026 0.0026
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Loa Loa (eye worm) angiogenesis inhibito 0.0064 0.0043 0.0037
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0266 0.0276 0.0462
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0168 0.3871
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0116 0.0103 0.0097
Brugia malayi Will die slowly protein 0.0131 0.012 0.0113
Mycobacterium ulcerans dehydrogenase 0.0054 0.0032 0.1477
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.3002 0.3421 0.4634
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0231 0.0235 0.0392
Onchocerca volvulus 0.0214 0.0216 0.6479
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0969 0.1084 0.2921
Schistosoma mansoni hypothetical protein 0.0205 0.0205 0.034
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0086 0.0069 0.3186
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Brugia malayi metalloprotease 0.0064 0.0043 0.0036
Brugia malayi neuroendocrine convertase 1 precursor 0.3103 0.3537 0.3533
Schistosoma mansoni dihydroceramide desaturase 0.0096 0.008 0.0125
Echinococcus multilocularis integrin alpha ps 0.1176 0.1321 0.1784
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0242 0.0248 0.0242
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0214 0.0216 0.0284
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Echinococcus granulosus c-Jun N-terminal kinases 0.0242 0.0248 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0078 0.006 0.2774
Leishmania major subtilisin-like serine peptidase 0.0214 0.0216 0.5153
Schistosoma mansoni hypothetical protein 0.0058 0.0036 0.005
Loa Loa (eye worm) acyl carrier protein 0.0039 0.0014 0.0008
Trypanosoma cruzi UDP-galactopyranose mutase 0.0054 0.0032 0.0091
Echinococcus granulosus adam 17 protease 0.0096 0.008 0.0099
Brugia malayi AMP-binding enzyme family protein 0.0078 0.006 0.0053
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0083 0.0065 0.2993
Schistosoma mansoni integrin alpha-ps 0.0648 0.0715 0.1215
Echinococcus multilocularis geminin 0.0205 0.0205 0.0269
Loa Loa (eye worm) hypothetical protein 0.0197 0.0197 0.019
Echinococcus granulosus integrin alpha ps 0.0527 0.0576 0.0773
Echinococcus granulosus integrin beta 2 0.6441 0.7374 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1095 0.1478
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0034 0.0009 0.0404
Loa Loa (eye worm) apoptosis regulator protein 0.0058 0.0036 0.0029
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0054 0.0032 0.0701
Brugia malayi endoprotease bli-4 precursor 0.4921 0.5627 0.5625
Loa Loa (eye worm) hypothetical protein 0.0266 0.0276 0.027
Schistosoma mansoni protein kinase 0.0133 0.0122 0.0199
Loa Loa (eye worm) hypothetical protein 0.0076 0.0057 0.005
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0133 0.0122 0.0157
Echinococcus granulosus neuroendocrine convertase 2 0.3103 0.3537 0.4792
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0049 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0138 0.0128 0.0122
Toxoplasma gondii subtilisin SUB5 0.0214 0.0216 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0081 0.0063 0.2908
Toxoplasma gondii subtilisin SUB11 0.0214 0.0216 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0221 0.0224 0.5423
Echinococcus granulosus lysine specific histone demethylase 1A 0.0266 0.0276 0.0365
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0272 0.0282 0.0374
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0214 0.0216 0.0291
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Onchocerca volvulus 0.0146 0.0138 0.3278
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0054 0.0032 0.0043
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1184 0.133 0.3667
Schistosoma mansoni amine oxidase 0.0054 0.0032 0.0043
Brugia malayi celfurPC protein 0.3952 0.4513 0.4509
Brugia malayi Kelch motif family protein 0.1346 0.1517 0.1511
Schistosoma mansoni tyrosine kinase 0.0252 0.0259 0.0433
Echinococcus granulosus fibrillin 2 0.0197 0.0197 0.0258
Schistosoma mansoni amine oxidase 0.0054 0.0032 0.0043
Schistosoma mansoni hypothetical protein 0.0969 0.1084 0.1849
Brugia malayi Furin-like cysteine rich region family protein 0.0252 0.0259 0.0253
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0058 0.0036 0.0029
Loa Loa (eye worm) hypothetical protein 0.0197 0.0197 0.019
Brugia malayi MH2 domain containing protein 0.0144 0.0135 0.0129
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0049 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0266 0.0276 0.027
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0081 0.0063 0.2908
Loa Loa (eye worm) hypothetical protein 0.0135 0.0125 0.0119
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1184 0.133 0.3667
Mycobacterium ulcerans Type I modular polyketide synthase 0.0081 0.0063 0.2908
Echinococcus multilocularis integrin alpha ps 0.11 0.1234 0.1666
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0083 0.0065 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0065 0.0044 0.2034
Brugia malayi ADAMTS-like protease 0.0135 0.0125 0.0118
Brugia malayi EGF-like domain containing protein 0.0197 0.0197 0.019
Echinococcus multilocularis integrin beta 2 0.6441 0.7374 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0032 0.0026
Brugia malayi hypothetical protein 0.1339 0.1509 0.1503
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0081 0.0063 0.2908
Echinococcus granulosus glutamate receptor 2 0.0049 0.0026 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0969 0.1084 0.2921
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0083 0.0065 0.2993
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0081 0.0063 0.2931

Activities

Activity type Activity value Assay description Source Reference
GABA ratio (binding) = 1 Gamma AminoButyric Acid(GABA) ratio is the Ki without GABA / Ki with GABA ChEMBL. 8978839
Inhibition (binding) = 78 % In vitro inhibition of [3H]- flunitrazepam binding to GABA-A central benzodiazepine receptor of bovine cortical membranes at 10 uM ChEMBL. 8978839
Inhibition (binding) = 78 % In vitro inhibition of [3H]- flunitrazepam binding to GABA-A central benzodiazepine receptor of bovine cortical membranes at 10 uM ChEMBL. 8978839
Ki (binding) = 1260 nM In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine receptor of bovine cortical membranes ChEMBL. 8978839
Ki (binding) = 1260 nM In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine receptor of bovine cortical membranes ChEMBL. 8978839
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5774 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 15.8489 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) 16.3601 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) 18.526 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) 25.1189 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) 25.1189 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 211.9226 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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.
 
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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.