Detailed information for compound 1300893

Basic information

Technical information
  • TDR Targets ID: 1300893
  • Name: 3-(4-methylpiperidin-1-yl)-1-phenylpyrrolidin e-2,5-dione
  • MW: 272.342 | Formula: C16H20N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.15 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C1CC(=O)N(C1=O)c1ccccc1
  • InChi: 1S/C16H20N2O2/c1-12-7-9-17(10-8-12)14-11-15(19)18(16(14)20)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
  • InChiKey: VAMSFMFPYABFIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-methyl-1-piperidyl)-1-phenyl-pyrrolidine-2,5-dione
  • 3-(4-methyl-1-piperidinyl)-1-phenylpyrrolidine-2,5-dione
  • 3-(4-methyl-1-piperidyl)-1-phenyl-pyrrolidine-2,5-quinone
  • 3-(4-methylpiperidin-1-yl)-1-phenyl-pyrrolidine-2,5-dione
  • Probes1_000202
  • CBDivE_015676
  • MLS000711052
  • SMR000280819
  • 3-(4-Methyl-piperidin-1-yl)-1-phenyl-pyrrolidine-2,5-dione
  • BAS 00702483
  • A1186/0054834
  • Probes2_000098

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus RUN 0.0046 0.0786 0.0951
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0707 0.0839
Schistosoma mansoni blooms syndrome DNA helicase 0.0042 0.0654 0.0791
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0694 0.0839
Onchocerca volvulus 0.0039 0.0577 0.105
Brugia malayi hypothetical protein 0.0149 0.39 0.4654
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0037 0.051 0.0506
Loa Loa (eye worm) hypothetical protein 0.0045 0.0754 0.09
Schistosoma mansoni rab6-interacting 0.0046 0.0786 0.0951
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0694 0.0689
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0064 0.1327 0.1134
Entamoeba histolytica cysteine protease, putative 0.0039 0.0577 0.4327
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0037 0.051 0.0617
Trypanosoma brucei unspecified product 0.0044 0.0728 0.0724
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Leishmania major hypothetical protein, conserved 0.0043 0.0707 0.05
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1703 0.2059
Echinococcus multilocularis zinc finger protein 0.0023 0.0089 0.0108
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0037 0.051 0.0617
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0707 0.5314
Brugia malayi ImpB/MucB/SamB family protein 0.0119 0.2981 0.3555
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1015 0.1227
Leishmania major ubiquitin-activating enzyme-like protein 0.0037 0.051 0.0299
Echinococcus granulosus cathepsin L cysteine proteinase 0.0039 0.0577 0.0698
Loa Loa (eye worm) cysteine protease 0.0039 0.0577 0.0689
Schistosoma mansoni hypothetical protein 0.0168 0.4447 0.5377
Brugia malayi Cathepsin L-like precursor 0.0039 0.0577 0.0684
Onchocerca volvulus 0.0046 0.0786 0.1615
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0127 0.0151
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Trichomonas vaginalis DNA helicase recq, putative 0.0053 0.0989 0.7442
Echinococcus multilocularis cathepsin L cysteine protease 0.0039 0.0577 0.0698
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0707 0.1028
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0082 0.1865 0.2255
Trichomonas vaginalis DNA polymerase eta, putative 0.0064 0.1327 1
Leishmania major DNA polymerase eta, putative 0.0119 0.2981 0.2824
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0282 0.2555
Echinococcus granulosus cathepsin L cysteine protease 0.002 0.0005 0.0006
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.0577 0.4327
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0037 0.051 0.4663
Brugia malayi cathepsin L-like precursor 0.0026 0.0187 0.0217
Brugia malayi Inositol-1 0.0043 0.0694 0.0823
Schistosoma mansoni hypothetical protein 0.0168 0.4447 0.5377
Loa Loa (eye worm) TK/FAK protein kinase 0.0298 0.8375 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0276 0.7709 0.9322
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0728 0.0724
Brugia malayi Bloom's syndrome protein homolog 0.0053 0.0989 0.1176
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0845
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1015 0.1227
Trypanosoma cruzi major cysteine proteinase, putative 0.0117 0.2931 0.2927
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0668 0.0807
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0728 0.0724
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1015 0.1227
Onchocerca volvulus 0.0039 0.0577 0.105
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0036 0.0473 0.432
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0218 0.1965
Onchocerca volvulus 0.0043 0.0707 0.1402
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0694 0.5209
Loa Loa (eye worm) hypothetical protein 0.0097 0.2316 0.2765
Toxoplasma gondii hypothetical protein 0.0057 0.1107 0.66
Mycobacterium ulcerans lipase LipD 0.0043 0.0707 0.1028
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0218 0.0213
Trypanosoma brucei DNA polymerase IV, putative 0.0064 0.1327 0.1323
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Onchocerca volvulus 0.0043 0.0707 0.1402
Leishmania major cathepsin L-like protease 0.0039 0.0577 0.0367
Onchocerca volvulus Cathepsin L homolog 0.0039 0.0577 0.105
Plasmodium falciparum cysteine proteinase falcipain 3 0.0039 0.0577 0.5275
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0082 0.1865 0.2255
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1703 0.2059
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0039 0.0577 0.0698
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0037 0.051 0.0617
Echinococcus granulosus cathepsin l cysteine peptidase 0.0039 0.0577 0.0698
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0054 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0187 0.1377
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Loa Loa (eye worm) hypothetical protein 0.0143 0.3698 0.4416
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0707 0.0648
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Mycobacterium tuberculosis Conserved protein 0.0043 0.0707 0.0648
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0282 0.2555
Brugia malayi ThiF family protein 0.0037 0.051 0.0604
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.1327 0.1469
Onchocerca volvulus 0.0039 0.0577 0.105
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0707 0.0648
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus granulosus bloom syndrome protein 0.0053 0.0989 0.1196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Schistosoma mansoni loxhd1 0.0046 0.0786 0.0951
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Brugia malayi Cathepsin L-like precursor 0.0039 0.0577 0.0684
Loa Loa (eye worm) hypothetical protein 0.0143 0.3698 0.4416
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.0054 0.0454
Brugia malayi Bromodomain containing protein 0.0088 0.2049 0.2443
Trichomonas vaginalis DNA helicase recq, putative 0.0028 0.0247 0.1835
Plasmodium falciparum LCCL domain-containing protein 0.0046 0.0786 0.7207
Loa Loa (eye worm) inositol-1 0.0043 0.0694 0.0828
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0056 0.1089 0.1317
Onchocerca volvulus Cathepsin L homolog 0.0039 0.0577 0.105
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0037 0.051 0.0506
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0082 0.1865 0.2255
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0707 0.0703
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0282 0.0277
Echinococcus granulosus geminin 0.0168 0.4447 0.5377
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.002 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0029 0.0282 0.0337
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0282 0.0277
Echinococcus granulosus cathepsin l1 0.0026 0.0187 0.0226
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0845
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1703 0.2059
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0845
Trypanosoma brucei DNA polymerase eta, putative 0.0119 0.2981 0.2977
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0352 1 1
Schistosoma mansoni lipoxygenase 0.0193 0.5208 0.6297
Loa Loa (eye worm) beta-lactamase 0.0043 0.0707 0.0845
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.1214 0.121
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.002 0.0005 0.0006
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0166 0.4415 0.4412
Echinococcus multilocularis cysteine protease 0.0039 0.0577 0.0698
Trypanosoma brucei DNA polymerase IV, putative 0.0064 0.1327 0.1323
Giardia lamblia DINP protein human, muc B family 0.0064 0.1327 1
Schistosoma mansoni cathepsin F (C01 family) 0.0039 0.0577 0.0698
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0054 0.0000000018759
Echinococcus multilocularis cysteine protease 0.0039 0.0577 0.0698
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Schistosoma mansoni hypothetical protein 0.0082 0.1865 0.2255
Onchocerca volvulus Cathepsin F homolog 0.0039 0.0577 0.105
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0037 0.051 0.4663
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0707 0.0648
Brugia malayi Cathepsin L-like cysteine proteinase 0.0026 0.0187 0.0217
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0039 0.0577 0.5275
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.0218 0.1027
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0707 0.5314
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0558 0.6943
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0054 0.0059
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1015 0.1227
Mycobacterium leprae Probable lipase LipE 0.0043 0.0707 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0707 0.0855
Echinococcus granulosus zinc finger protein 0.0023 0.0089 0.0108
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0845
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.0577 0.4327
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0075 0.1649 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus multilocularis protein tyrosine kinase 0.0294 0.827 1
Loa Loa (eye worm) RecQ helicase 0.0053 0.0989 0.1181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.1015 0.1206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Brugia malayi ThiF family protein 0.0056 0.1089 0.1296
Brugia malayi hypothetical protein 0.0046 0.0786 0.0934
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0039 0.0577 0.0689
Echinococcus multilocularis Polycystic kidney disease protein 0.0046 0.0786 0.0951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus granulosus cysteine protease 0.002 0.0005 0.0006
Toxoplasma gondii cathepsin CPL 0.0039 0.0577 0.3277
Mycobacterium ulcerans hypothetical protein 0.0043 0.0707 0.1028
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0707 0.0648
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0218 0.1965
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.1508 0.1824
Schistosoma mansoni hypothetical protein 0.0082 0.1865 0.2255
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0707 0.0648
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Loa Loa (eye worm) hypothetical protein 0.0083 0.1898 0.2266
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0282 0.1428
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0282 0.0277
Schistosoma mansoni lipoxygenase 0.0276 0.7709 0.9322
Onchocerca volvulus Huntingtin homolog 0.0143 0.3698 0.9455
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0054 0.0059
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0039 0.0577 0.0689
Schistosoma mansoni cathepsin F (C01 family) 0.0039 0.0577 0.0698
Echinococcus granulosus cathepsin L 0.002 0.0005 0.0006
Schistosoma mansoni terminal deoxycytidyl transferase 0.0064 0.1327 0.1605
Leishmania major cathepsin L-like protease 0.0039 0.0577 0.0367
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0082 0.1865 0.2222
Schistosoma mansoni DNA polymerase eta 0.0119 0.2981 0.3604
Trypanosoma cruzi DNA polymerase eta, putative 0.0119 0.2981 0.2977
Echinococcus multilocularis RUN 0.0046 0.0786 0.0951
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0056 0.1089 0.1317
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.1327 0.158
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0694 0.0689
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0064 0.1327 0.1469
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0707 0.0703
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0027 0.0218 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0064 0.1327 1
Onchocerca volvulus 0.0039 0.0577 0.105
Brugia malayi RNA binding protein 0.0076 0.1703 0.2028
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0032 0.0355 0.035
Trypanosoma brucei DNA polymerase IV, putative 0.0064 0.1327 0.1323
Onchocerca volvulus 0.0043 0.0707 0.1402
Plasmodium vivax vivapain-2 0.0039 0.0577 0.5275
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.1508 0.1824
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Loa Loa (eye worm) RNA binding protein 0.0076 0.1703 0.2033
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Loa Loa (eye worm) hypothetical protein 0.005 0.0905 0.1081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.1015 0.1211
Brugia malayi beta-lactamase family protein 0.0043 0.0707 0.0839
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0051 0.0934 0.1129
Trypanosoma brucei unspecified product 0.0044 0.0728 0.0724
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0082 0.1865 0.2255
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0276 0.7709 0.9322
Echinococcus multilocularis bloom syndrome protein 0.0053 0.0989 0.1196
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0707 0.0648
Loa Loa (eye worm) hypothetical protein 0.0161 0.4237 0.5059
Echinococcus multilocularis cathepsin L 0.002 0.0005 0.0006
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0194 0.0235
Schistosoma mansoni apoptosis regulator bax 0.0082 0.1865 0.2255
Echinococcus granulosus protein tyrosine kinase 0.0294 0.827 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0707 0.0648
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0056 0.1089 1
Brugia malayi Bromodomain containing protein 0.0045 0.0751 0.0892
Echinococcus granulosus dna polymerase eta 0.0119 0.2981 0.3604
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0845
Mycobacterium ulcerans hypothetical protein 0.0185 0.4982 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Brugia malayi Doublecortin family protein 0.0046 0.0786 0.0934
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0187 0.0226
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0888 0.0883
Echinococcus multilocularis lipoxygenase domain containing protein 0.0046 0.0786 0.0951
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0039 0.0577 0.0698
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0194 0.0235
Echinococcus granulosus lipoxygenase domain containing protein 0.0046 0.0786 0.0951
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0046 0.0795 0.7291
Loa Loa (eye worm) apoptosis regulator protein 0.0082 0.1865 0.2227
Schistosoma mansoni polycystin 1-related 0.0046 0.0786 0.0951
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0282 0.2555
Loa Loa (eye worm) doublecortin family protein 0.0046 0.0786 0.0939
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0352 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0786 0.0939
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Brugia malayi Cathepsin L-like precursor 0.0026 0.0187 0.0217
Leishmania major DNA polymerase eta, putative 0.0075 0.1649 0.1464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus granulosus tar DNA binding protein 0.0076 0.1703 0.2059
Onchocerca volvulus 0.0039 0.0577 0.105
Loa Loa (eye worm) ThiF family protein 0.0037 0.051 0.061
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.3893 0.389
Trypanosoma cruzi DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Leishmania major cathepsin L-like protease 0.0149 0.3893 0.3757
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0845
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0064 0.1327 0.1605
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0054 0.0065
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0694 0.0486
Brugia malayi Papain family cysteine protease containing protein 0.0039 0.0577 0.0684
Loa Loa (eye worm) fibroinase 0.0039 0.0577 0.0689
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.3893 0.389
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0064 0.1327 0.1605
Mycobacterium ulcerans DNA polymerase IV 0.0064 0.1327 0.2328
Onchocerca volvulus 0.0039 0.0577 0.105
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1703 0.2059
Brugia malayi Cathepsin L-like precursor 0.0039 0.0577 0.0684
Onchocerca volvulus 0.0097 0.2316 0.5733
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1703 0.2033
Loa Loa (eye worm) hypothetical protein 0.0046 0.0786 0.0939
Leishmania major cathepsin L-like protease 0.0039 0.0577 0.0367
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0707 0.0855
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.0577 0.0572
Brugia malayi hypothetical protein 0.0029 0.0282 0.0331
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0097 0.2316 0.28
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0187 0.1377
Loa Loa (eye worm) hypothetical protein 0.0082 0.1865 0.2227
Leishmania major DNA polymerase kappa, putative 0.0064 0.1327 0.1134
Echinococcus multilocularis lipoxygenase domain containing protein 0.0046 0.0786 0.0951
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.3893 0.389
Loa Loa (eye worm) hypothetical protein 0.0026 0.0187 0.0223
Schistosoma mansoni inositol monophosphatase 0.0043 0.0694 0.0839
Plasmodium vivax multidomain scavenger receptor, putative 0.0046 0.0786 0.7207
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0707 0.0648
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0668 0.0807
Leishmania major cathepsin L-like protease 0.0149 0.3893 0.3757
Echinococcus granulosus lipoxygenase domain containing protein 0.0046 0.0786 0.0951
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Plasmodium vivax ubiquitin activating enzyme, putative 0.0056 0.1089 1
Loa Loa (eye worm) ctsf protein 0.0039 0.0577 0.0689
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0694 0.0999
Entamoeba histolytica deoxycytidyl transferase, putative 0.0064 0.1327 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Brugia malayi hypothetical protein 0.0046 0.0786 0.0934
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Plasmodium vivax vivapain-2 0.0039 0.0577 0.5275
Echinococcus multilocularis geminin 0.0168 0.4447 0.5377
Mycobacterium ulcerans beta-lactamase 0.0043 0.0707 0.1028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0707 0.1028
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus granulosus dna polymerase kappa 0.0064 0.1327 0.1605
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0707 0.0855
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0352 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0694 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0028 0.0247 0.0243
Schistosoma mansoni zinc finger protein 0.0023 0.0089 0.0108
Brugia malayi Cathepsin L-like precursor 0.0026 0.0187 0.0217
Schistosoma mansoni DNA helicase recq1 0.0022 0.0054 0.0065
Loa Loa (eye worm) hypothetical protein 0.0039 0.0577 0.0689
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.4415 0.4291
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0728 0.0724
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0064 0.1327 0.1585
Echinococcus multilocularis dna polymerase kappa 0.0064 0.1327 0.1605
Loa Loa (eye worm) hypothetical protein 0.0149 0.39 0.4657
Trypanosoma brucei unspecified product 0.0064 0.1327 0.1323
Echinococcus multilocularis cathepsin L cysteine protease 0.0039 0.0577 0.0698
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0039 0.0577 0.4327
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0694 0.0689
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0707 0.5314
Mycobacterium tuberculosis Conserved hypothetical protein 0.0185 0.4982 0.6309
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Schistosoma mansoni hypothetical protein 0.0046 0.0786 0.0951
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0056 0.1089 0.1317
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1015 0.1227
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0028 0.0247 0.003
Entamoeba histolytica recQ family helicase, putative 0.0028 0.0247 0.1835
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0707 0.0845
Schistosoma mansoni DNA helicase recq5 0.0022 0.0054 0.0065
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1703 0.2033
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0558 0.045
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0187 0.1377
Loa Loa (eye worm) hypothetical protein 0.0048 0.0838 0.1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0694 0.5209
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.4415 0.4412
Schistosoma mansoni tyrosine kinase 0.0294 0.827 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0194 0.0235
Brugia malayi Cathepsin L-like precursor 0.0039 0.0577 0.0684
Echinococcus multilocularis dna polymerase eta 0.0119 0.2981 0.3604
Onchocerca volvulus Huntingtin homolog 0.0143 0.3698 0.9455
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1015 0.1227
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0888 0.0883
Leishmania major cathepsin L-like protease 0.0039 0.0577 0.0367
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0694 0.5209
Schistosoma mansoni hypothetical protein 0.0024 0.0127 0.0153
Trichomonas vaginalis DNA helicase recq1, putative 0.0053 0.0989 0.7442
Brugia malayi TAR-binding protein 0.0076 0.1703 0.2028
Brugia malayi Cathepsin L-like precursor 0.0039 0.0577 0.0684
Brugia malayi beta-lactamase 0.0043 0.0707 0.0839
Schistosoma mansoni rab6-interacting 0.0046 0.0786 0.0951
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0082 0.1865 0.2255
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.777 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0187 0.0223
Echinococcus multilocularis L aminoadipate semialdehyde 0.0097 0.2316 0.28
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0022 0.0026
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0707 0.5314
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0039 0.0577 0.5275
Trypanosoma cruzi cruzipain precursor, putative 0.0149 0.3893 0.389
Toxoplasma gondii ThiF family protein 0.0037 0.051 0.2861
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0888 0.0883
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0694 0.4009
Brugia malayi Cathepsin L-like precursor 0.0039 0.0577 0.0684
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0064 0.1327 0.1605
Brugia malayi hypothetical protein 0.0143 0.3698 0.4412
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0707 0.5314
Loa Loa (eye worm) hypothetical protein 0.0119 0.2981 0.3559
Trichomonas vaginalis esterase, putative 0.0043 0.0707 0.5314
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0035 0.0461 0.2548
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0054 0.0065
Leishmania major cathepsin L-like protease 0.0039 0.0577 0.0367
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0136 0.3503 0.35
Onchocerca volvulus 0.0039 0.0577 0.105
Brugia malayi PHD-finger family protein 0.0029 0.0278 0.0326
Loa Loa (eye worm) hypothetical protein 0.0026 0.0187 0.0223
Mycobacterium ulcerans DNA polymerase IV 0.0064 0.1327 0.2328
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0707 0.6479
Schistosoma mansoni bromodomain containing protein 0.0074 0.1635 0.1977
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0707 0.0855
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.3893 0.389
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0028 0.0247 0.0243
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0097 0.2316 0.2761
Toxoplasma gondii ABC1 family protein 0.0043 0.0707 0.4095
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1703 0.2059
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0694 0.5209
Brugia malayi Protein kinase domain containing protein 0.0298 0.8375 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0707 0.0703
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1703 0.2059
Echinococcus granulosus cathepsin l1 0.0039 0.0577 0.0698
Entamoeba histolytica hypothetical protein 0.0027 0.0218 0.1611
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.002 0.0005 0.0006
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0054 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0039 0.0577 0.4327
Trypanosoma cruzi DNA polymerase eta, putative 0.0075 0.1649 0.1646
Leishmania major cathepsin L-like protease 0.0149 0.3893 0.3757
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0054 0.0065
Mycobacterium tuberculosis Conserved protein 0.0043 0.0707 0.0648
Toxoplasma gondii hypothetical protein 0.0056 0.1089 0.6489
Onchocerca volvulus 0.0149 0.39 1
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0694 0.0839
Leishmania major hypothetical protein, conserved 0.0029 0.0282 0.0065
Brugia malayi beta-lactamase family protein 0.0043 0.0707 0.0839
Schistosoma mansoni inositol monophosphatase 0.0043 0.0694 0.0839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1015 0.1227
Loa Loa (eye worm) hypothetical protein 0.0022 0.0054 0.0065
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0577 0.4327
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1703 0.2028
Trypanosoma brucei DNA polymerase kappa, putative 0.0064 0.1327 0.1323
Loa Loa (eye worm) hypothetical protein 0.0056 0.1089 0.1301
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.0218 0.1027
Schistosoma mansoni hypothetical protein 0.0082 0.1865 0.2255
Echinococcus granulosus Polycystic kidney disease protein 0.0046 0.0786 0.0951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0577 0.4327
Echinococcus granulosus L aminoadipate semialdehyde 0.0097 0.2316 0.28
Onchocerca volvulus 0.0046 0.0786 0.1615
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0027 0.0218 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0888 0.0883
Leishmania major cysteine peptidase A (CPA) 0.0039 0.0577 0.0367
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0707 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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