Detailed information for compound 1350832

Basic information

Technical information
  • TDR Targets ID: 1350832
  • Name: 3-[3-(4-nitrophenyl)-4-(piperidine-1-carbonyl )pyrazol-1-yl]propanenitrile
  • MW: 353.375 | Formula: C18H19N5O3
  • H donors: 0 H acceptors: 5 LogP: 1.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCn1cc(c(n1)c1ccc(cc1)[N+](=O)[O-])C(=O)N1CCCCC1
  • InChi: 1S/C18H19N5O3/c19-9-4-12-22-13-16(18(24)21-10-2-1-3-11-21)17(20-22)14-5-7-15(8-6-14)23(25)26/h5-8,13H,1-4,10-12H2
  • InChiKey: SVDAFOPJWSOVHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[3-(4-nitrophenyl)-4-[oxo-(1-piperidyl)methyl]-1-pyrazolyl]propanenitrile
  • 3-[3-(4-nitrophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propionitrile
  • 3-[3-(4-nitrophenyl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile
  • T5314508
  • SMR000295532
  • ZINC03372275
  • MLS000672304
  • 3-[3-(4-nitrophenyl)-4-(1-piperidinylcarbonyl)-1H-pyrazol-1-yl]propanenitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin F (C01 family) 0.0064 0.0092 0.0092
Mycobacterium ulcerans zinc metalloprotease 0.0561 0.3443 1
Loa Loa (eye worm) hypothetical protein 0.0424 0.2522 0.7325
Onchocerca volvulus Cathepsin L homolog 0.0093 0.029 0.1007
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Entamoeba histolytica cysteine proteinase, putative 0.0064 0.0092 0.3162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Loa Loa (eye worm) aspartyl protease 6 0.0123 0.0491 0.1427
Brugia malayi Eukaryotic aspartyl protease family protein 0.0123 0.0491 0.1427
Loa Loa (eye worm) hypothetical protein 0.0217 0.1125 0.3267
Schistosoma mansoni memapsin-2 (A01 family) 0.0123 0.0491 0.0491
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Plasmodium falciparum cysteine repeat modular protein 1 0.0058 0.0053 0.0167
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0561 0.3443 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0093 0.029 0.0842
Onchocerca volvulus 0.0093 0.029 0.1007
Toxoplasma gondii peptidase family M13 protein 0.0561 0.3443 1
Echinococcus granulosus tissue type plasminogen activator 0.0058 0.0053 0.0154
Trypanosoma brucei prolyl endopeptidase 0.0477 0.288 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0491 0.1427
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Onchocerca volvulus 0.0058 0.0053 0.0184
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0137 0.0583 0.0583
Toxoplasma gondii aspartyl protease ASP1 0.052 0.3169 0.9203
Loa Loa (eye worm) hypothetical protein 0.0424 0.2522 0.7325
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0424 0.2522 0.7325
Brugia malayi Cathepsin L-like precursor 0.0093 0.029 0.0842
Echinococcus multilocularis endothelin converting enzyme 1 0.0561 0.3443 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0093 0.029 0.0915
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0283 0.157 0.157
Brugia malayi Cathepsin L-like precursor 0.0093 0.029 0.0842
Schistosoma mansoni neprilysin-2 (M13 family) 0.0283 0.157 0.157
Plasmodium falciparum plasmepsin VII 0.0123 0.0491 0.1551
Onchocerca volvulus 0.0093 0.029 0.1007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Brugia malayi Cathepsin L-like precursor 0.0093 0.029 0.0842
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Onchocerca volvulus Cathepsin F homolog 0.0093 0.029 0.1007
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1534 0.2368
Loa Loa (eye worm) hypothetical protein 0.0278 0.1536 0.446
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Entamoeba histolytica cysteine protease, putative 0.0093 0.029 1
Plasmodium vivax aspartyl protease, putative 0.0123 0.0491 0.1551
Onchocerca volvulus Prolyl endopeptidase homolog 0.0477 0.288 1
Brugia malayi Cathepsin L-like precursor 0.0064 0.0092 0.0266
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0093 0.029 0.0915
Leishmania major hypothetical protein, conserved 0.0058 0.0053 0.0184
Schistosoma mansoni hypothetical protein 0.0058 0.0053 0.0053
Onchocerca volvulus 0.0093 0.029 0.1007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Brugia malayi Cathepsin L-like precursor 0.0093 0.029 0.0842
Brugia malayi Papain family cysteine protease containing protein 0.0093 0.029 0.0842
Plasmodium falciparum plasmepsin II 0.052 0.3169 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Toxoplasma gondii aspartyl protease ASP3 0.0123 0.0491 0.1427
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Loa Loa (eye worm) hypothetical protein 0.0093 0.029 0.0842
Plasmodium falciparum plasmepsin V 0.0123 0.0491 0.1551
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Onchocerca volvulus 0.0093 0.029 0.1007
Loa Loa (eye worm) hypothetical protein 0.0064 0.0092 0.0266
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0062 0.0078 0.0269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Onchocerca volvulus 0.0123 0.0491 0.1707
Loa Loa (eye worm) fibroinase 0.0093 0.029 0.0842
Brugia malayi Muscleblind-like protein 0.018 0.0878 0.255
Echinococcus granulosus cathepsin b 0.0153 0.0695 0.202
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0427 0.2542 0.6398
Onchocerca volvulus 0.0123 0.0491 0.1707
Loa Loa (eye worm) hypothetical protein 0.0424 0.2522 0.7325
Toxoplasma gondii prolyl endopeptidase 0.0477 0.288 0.8363
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0146 0.0649 0.0649
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.052 0.3169 0.9203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Echinococcus granulosus muscleblind protein 0.018 0.0878 0.255
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.052 0.3169 0.9203
Plasmodium falciparum plasmepsin VIII, putative 0.0123 0.0491 0.1551
Trypanosoma cruzi cruzipain precursor, putative 0.0093 0.029 0.1007
Plasmodium vivax aspartyl proteinase, putative 0.0123 0.0491 0.1551
Loa Loa (eye worm) hypothetical protein 0.0561 0.3443 1
Trypanosoma cruzi prolyl endopeptidase 0.0477 0.288 1
Trypanosoma cruzi oligopeptidase b 0.019 0.0942 0.3271
Loa Loa (eye worm) hypothetical protein 0.0064 0.0092 0.0266
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.052 0.3169 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0137 0.0583 0.0583
Trypanosoma brucei cysteine peptidase C (CPC) 0.0062 0.0078 0.0269
Plasmodium vivax plasmepsin IV, putative 0.052 0.3169 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Onchocerca volvulus 0.0278 0.1536 0.5333
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.019 0.0942 0.3271
Brugia malayi aspartic protease BmAsp-2, identical 0.0123 0.0491 0.1427
Schistosoma mansoni hypothetical protein 0.0146 0.0649 0.0649
Toxoplasma gondii kringle domain-containing protein 0.0058 0.0053 0.0154
Mycobacterium leprae probable zinc metalloprotease 0.0561 0.3443 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0153 0.0695 0.2415
Schistosoma mansoni hypothetical protein 0.0146 0.0649 0.0649
Schistosoma mansoni endothelin-converting enzyme-related 0.0137 0.0583 0.0583
Loa Loa (eye worm) zinc metallopeptidase 4 0.0137 0.0583 0.1695
Echinococcus multilocularis tissue type plasminogen activator 0.0058 0.0053 0.0154
Brugia malayi Cathepsin L-like precursor 0.0093 0.029 0.0842
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0561 0.3443 0.3443
Plasmodium falciparum plasmepsin III 0.0123 0.0491 0.1551
Loa Loa (eye worm) hypothetical protein 0.0424 0.2522 0.7325
Leishmania major oligopeptidase b 0.019 0.0942 0.3271
Loa Loa (eye worm) hypothetical protein 0.0415 0.2456 0.7134
Loa Loa (eye worm) cathepsin B 0.0062 0.0078 0.0225
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.0078 0.0245
Echinococcus multilocularis muscleblind protein 0.018 0.0878 0.255
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0123 0.0491 0.1427
Entamoeba histolytica cysteine proteinase, putative 0.0093 0.029 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.029 0.1007
Leishmania major cysteine peptidase A (CPA) 0.0093 0.029 0.1007
Toxoplasma gondii aspartyl protease 0.0123 0.0491 0.1427
Plasmodium falciparum cysteine proteinase falcipain 3 0.0093 0.029 0.0915
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0217 0.1125 0.1125
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0477 0.288 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0137 0.0583 0.0583
Echinococcus granulosus cathepsin l cysteine peptidase 0.0093 0.029 0.0842
Loa Loa (eye worm) hypothetical protein 0.0415 0.2456 0.7134
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Schistosoma mansoni hypothetical protein 0.0146 0.0649 0.0649
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0283 0.157 0.157
Echinococcus granulosus endothelin converting enzyme 1 0.0561 0.3443 1
Plasmodium falciparum plasmepsin IV 0.052 0.3169 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0415 0.2456 0.7134
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Schistosoma mansoni hypothetical protein 0.0146 0.0649 0.0649
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0217 0.1125 0.1125
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Schistosoma mansoni hypothetical protein 0.0146 0.0649 0.0649
Brugia malayi Cathepsin L-like precursor 0.0064 0.0092 0.0266
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Plasmodium falciparum plasmepsin I 0.052 0.3169 1
Loa Loa (eye worm) hypothetical protein 0.0561 0.3443 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0491 0.1427
Brugia malayi hypothetical protein 0.0123 0.0491 0.1427
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0064 0.0092 0.0289
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.029 0.1007
Brugia malayi aspartic protease BmAsp-1, identical 0.0123 0.0491 0.1427
Loa Loa (eye worm) hypothetical protein 0.0064 0.0092 0.0266
Loa Loa (eye worm) hypothetical protein 0.052 0.3169 0.9203
Loa Loa (eye worm) hypothetical protein 0.018 0.0878 0.255
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.019 0.0942 0.3271
Trypanosoma brucei oligopeptidase b 0.019 0.0942 0.3271
Giardia lamblia Cathepsin B precursor 0.0062 0.0078 1
Onchocerca volvulus 0.0064 0.0092 0.0318
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0283 0.157 0.157
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.0695 0.0695
Echinococcus multilocularis muscleblind protein 1 0.018 0.0878 0.255
Schistosoma mansoni hypothetical protein 0.0146 0.0649 0.0649
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0093 0.029 0.0842
Brugia malayi peptidase family M13 containing protein 0.0137 0.0583 0.1695
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Plasmodium falciparum plasmepsin IX 0.0123 0.0491 0.1551
Loa Loa (eye worm) hypothetical protein 0.0217 0.1125 0.3267
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0561 0.3443 1
Echinococcus granulosus cathepsin l1 0.0064 0.0092 0.0266
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Onchocerca volvulus Cathepsin L homolog 0.0093 0.029 0.1007
Loa Loa (eye worm) hypothetical protein 0.018 0.0878 0.255
Brugia malayi cathepsin B-like cysteine proteinase 0.0153 0.0695 0.202
Loa Loa (eye worm) hypothetical protein 0.0058 0.0053 0.0154
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.029 0.1007
Brugia malayi Kringle domain containing protein 0.0058 0.0053 0.0154
Loa Loa (eye worm) hypothetical protein 0.0561 0.3443 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.0695 0.202
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Loa Loa (eye worm) hypothetical protein 0.0424 0.2522 0.7325
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0093 0.029 0.0915
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0137 0.0583 0.0583
Brugia malayi Trypsin family protein 0.0217 0.1125 0.3267
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0477 0.288 0.288
Brugia malayi cathepsin L-like precursor 0.0064 0.0092 0.0266
Trypanosoma cruzi cysteine peptidase, putative 0.0093 0.029 0.1007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Trypanosoma brucei prolyl oligopeptidase, putative 0.019 0.0942 0.3271
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0093 0.029 0.0842
Echinococcus multilocularis cathepsin L cysteine protease 0.0093 0.029 0.0842
Giardia lamblia Cathepsin B precursor 0.0062 0.0078 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0153 0.0695 0.0695
Loa Loa (eye worm) aspartic protease BmAsp-2 0.052 0.3169 0.9203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0137 0.0583 0.0583
Echinococcus granulosus cathepsin L cysteine proteinase 0.0093 0.029 0.0842
Echinococcus multilocularis cathepsin b 0.0153 0.0695 0.202
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.052 0.3169 0.3169
Onchocerca volvulus 0.0093 0.029 0.1007
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0062 0.0078 0.0269
Loa Loa (eye worm) peptidase family M13 containing protein 0.0415 0.2456 0.7134
Plasmodium vivax plasmepsin V, putative 0.0123 0.0491 0.1551
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Echinococcus multilocularis cathepsin L cysteine protease 0.0093 0.029 0.0842
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.0695 0.0695
Brugia malayi Cathepsin L-like cysteine proteinase 0.0064 0.0092 0.0266
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Loa Loa (eye worm) hypothetical protein 0.0415 0.2456 0.7134
Onchocerca volvulus 0.0193 0.0962 0.334
Loa Loa (eye worm) ctsf protein 0.0093 0.029 0.0842
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0093 0.029 0.0842
Echinococcus multilocularis prolyl endopeptidase 0.0477 0.288 0.8363
Plasmodium vivax aspartyl protease, putative 0.0123 0.0491 0.1551
Trypanosoma cruzi oligopeptidase b 0.019 0.0942 0.3271
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.019 0.0942 0.3271
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0092 0.0318
Schistosoma mansoni cathepsin F (C01 family) 0.0093 0.029 0.029
Plasmodium vivax vivapain-2 0.0093 0.029 0.0915
Echinococcus granulosus cathepsin l1 0.0093 0.029 0.0842
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0477 0.288 0.288
Schistosoma mansoni cathepsin D (A01 family) 0.1534 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.052 0.3169 0.9203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Brugia malayi Cathepsin L-like precursor 0.0093 0.029 0.0842
Onchocerca volvulus 0.0093 0.029 0.1007
Brugia malayi Protein kinase domain containing protein 0.0058 0.0053 0.0154
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0058 0.0053 0.0167
Leishmania major cathepsin L-like protease 0.0093 0.029 0.1007
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0053 0.0184
Plasmodium vivax vivapain-2 0.0093 0.029 0.0915
Plasmodium vivax aspartyl proteinase, putative 0.052 0.3169 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0123 0.0491 0.1427
Loa Loa (eye worm) hypothetical protein 0.0415 0.2456 0.7134
Onchocerca volvulus 0.0217 0.1125 0.3906
Plasmodium vivax aspartyl protease, putative 0.0123 0.0491 0.1551
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Loa Loa (eye worm) TK/ROR protein kinase 0.0058 0.0053 0.0154
Echinococcus granulosus prolyl endopeptidase 0.0477 0.288 0.8363
Onchocerca volvulus 0.0093 0.029 0.1007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Loa Loa (eye worm) hypothetical protein 0.0477 0.288 0.8363
Brugia malayi Peptidase family M13 containing protein 0.0561 0.3443 1
Echinococcus multilocularis cysteine protease 0.0093 0.029 0.0842
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0123 0.0491 0.0491
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.0078 0.0078
Echinococcus multilocularis cathepsin b 0.0153 0.0695 0.202
Entamoeba histolytica cysteine proteinase, putative 0.0093 0.029 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.019 0.0942 0.3271
Brugia malayi hypothetical protein 0.0123 0.0491 0.1427
Schistosoma mansoni cathepsin F (C01 family) 0.0093 0.029 0.029
Schistosoma mansoni neprilysin 0.0146 0.0649 0.0649
Loa Loa (eye worm) cysteine protease 0.0093 0.029 0.0842
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0093 0.029 0.1007
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.0695 0.0695
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0283 0.157 0.157
Giardia lamblia Cathepsin B precursor 0.0062 0.0078 1
Echinococcus multilocularis cysteine protease 0.0093 0.029 0.0842
Brugia malayi prolyl oligopeptidase family protein 0.0477 0.288 0.8363
Plasmodium falciparum plasmepsin X 0.0123 0.0491 0.1551
Brugia malayi Pepsin A precursor 0.0123 0.0491 0.1427
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0093 0.029 0.0915
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0064 0.0092 0.0289
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0093 0.029 0.0915
Toxoplasma gondii cathepsin CPL 0.0093 0.029 0.0842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0093 0.029 0.0915
Echinococcus granulosus cathepsin b 0.0153 0.0695 0.202
Toxoplasma gondii cathepsin B 0.0062 0.0078 0.0225
Plasmodium falciparum plasmepsin VI 0.052 0.3169 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.2753 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) 23.1093 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

No literature references available for this target.

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