Detailed information for compound 336889

Basic information

Technical information
  • TDR Targets ID: 336889
  • Name: (3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-meth yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazol o[4,3-c]pyridin-5-yl]butan-1-one
  • MW: 402.362 | Formula: C18H19F5N4O
  • H donors: 1 H acceptors: 2 LogP: 1.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H](Cc1cc(F)ccc1F)CC(=O)N1CCc2c(C1)c(n(n2)C)C(F)(F)F
  • InChi: 1S/C18H19F5N4O/c1-26-17(18(21,22)23)13-9-27(5-4-15(13)25-26)16(28)8-12(24)7-10-6-11(19)2-3-14(10)20/h2-3,6,12H,4-5,7-9,24H2,1H3/t12-/m1/s1
  • InChiKey: DXPLWSRNTJOVFI-GFCCVEGCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-butanone
  • (3R)-3-azanyl-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dipeptidyl-peptidase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Onchocerca volvulus 0.003 0.0143 0.0483
Onchocerca volvulus 0.0063 0.0513 0.1952
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0038 0.0232 0.0218
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.2115 0.8308
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Plasmodium falciparum serine repeat antigen 2 0.0037 0.0228 0.3147
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0021 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0064 0.0523 0.0523
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.2115 0.2108
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0081 0.0707 0.069
Brugia malayi mbt repeat family protein 0.003 0.0143 0.0134
Loa Loa (eye worm) hypothetical protein 0.0021 0.0049 0.004
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0025 0.009 0.0072
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0019 0.0021 0.0021
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0018 0.0012 0.0003
Onchocerca volvulus 0.0081 0.0707 0.2722
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Entamoeba histolytica cysteine proteinase, putative 0.0063 0.0513 0.6854
Brugia malayi hypothetical protein 0.0332 0.3463 0.3457
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0332 0.3463 0.3457
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0081 0.0707 0.0699
Trypanosoma cruzi major cysteine proteinase, putative 0.0037 0.0228 0.0228
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0037 0.0228 0.3147
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0037 0.0228 0.022
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0117 0.1098 0.1086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Schistosoma mansoni cathepsin B (C01 family) 0.0037 0.0228 0.0228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0021 0.0021
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0228 0.022
Plasmodium falciparum serine repeat antigen 3 0.0037 0.0228 0.3147
Brugia malayi prolyl oligopeptidase family protein 0.007 0.059 0.0582
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0037 0.0228 0.3147
Plasmodium falciparum serine repeat antigen 6 0.0037 0.0228 0.3147
Entamoeba histolytica cysteine proteinase, putative 0.0081 0.0707 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0081 0.0707 0.0699
Onchocerca volvulus 0.0068 0.0561 0.2144
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0513 0.0513
Onchocerca volvulus 0.0081 0.0707 0.2722
Brugia malayi Cathepsin L-like precursor 0.0081 0.0707 0.0699
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.0009 0.0009
Echinococcus multilocularis cathepsin L 0.0055 0.0423 0.0405
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0037 0.0228 0.3147
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.059 0.1793
Loa Loa (eye worm) MH2 domain-containing protein 0.0082 0.0722 0.0713
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0423 0.0642
Brugia malayi Cathepsin L-like precursor 0.0081 0.0707 0.0699
Echinococcus granulosus cathepsin L cysteine proteinase 0.0081 0.0707 0.0694
Echinococcus granulosus cathepsin L cysteine protease 0.0055 0.0423 0.0409
Echinococcus granulosus lamin 0.0038 0.0234 0.022
Loa Loa (eye worm) hypothetical protein 0.0067 0.0549 0.054
Schistosoma mansoni myelin transcription factor 1 myt1 0.0034 0.0188 0.0188
Schistosoma mansoni transcription factor LCR-F1 0.0025 0.009 0.009
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0928 1 1
Giardia lamblia Cathepsin B precursor 0.0313 0.3251 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0037 0.0228 0.022
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.059 0.1793
Echinococcus granulosus cathepsin L 0.0037 0.0228 0.0215
Plasmodium vivax vivapain-2 0.0081 0.0707 1
Echinococcus multilocularis zinc finger transcription factor gli2 0.0213 0.2158 0.2144
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0037 0.0228 0.2241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Schistosoma mansoni cathepsin s 0.0018 0.0012 0.0012
Loa Loa (eye worm) latrophilin receptor protein 2 0.0021 0.0049 0.004
Plasmodium falciparum serine repeat antigen 8 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.001
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0248 0.2541 0.2534
Trypanosoma cruzi cruzipain precursor, putative 0.0018 0.0012 0.0012
Onchocerca volvulus 0.0081 0.0707 0.2722
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0129 0.1236 0.1228
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0064 0.0523 0.0515
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0037 0.0228 0.3147
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0021 0.0049 0.0031
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Echinococcus multilocularis survival motor neuron protein 1 0.0332 0.3463 0.3451
Entamoeba histolytica cysteine proteinase 2 0.0055 0.0423 0.5387
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0423 0.5387
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Onchocerca volvulus Cathepsin L homolog 0.0081 0.0707 0.2722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Schistosoma mansoni hypothetical protein 0.0502 0.5333 0.5333
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0018 0.0019 0.0005
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.2115 0.2108
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0064 0.0523 0.0515
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Plasmodium vivax SET domain protein, putative 0.0019 0.0021 0.018
Entamoeba histolytica cysteine protease, putative 0.0037 0.0228 0.2241
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0313 0.3251 0.3251
Echinococcus granulosus cathepsin l cysteine peptidase 0.0081 0.0707 0.0694
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0423 0.0642
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0081 0.0707 0.1584
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0034 0.0188 0.017
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0228 0.0228
Schistosoma mansoni hypothetical protein 0.0046 0.0317 0.0317
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0067 0.0549 0.054
Onchocerca volvulus 0.0081 0.0707 0.2722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0228 0.0228
Onchocerca volvulus 0.0081 0.0707 0.2722
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0064 0.0523 0.0505
Echinococcus multilocularis cathepsin L cysteine protease 0.0081 0.0707 0.069
Echinococcus granulosus survival motor neuron protein 1 0.0332 0.3463 0.3454
Leishmania major cysteine peptidase A (CPA) 0.0081 0.0707 0.2154
Echinococcus granulosus SAM and MBT domain containing protein 0.003 0.0143 0.0129
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0021 0.0007
Trypanosoma cruzi cysteine proteinase, putative 0.0055 0.0423 0.0423
Onchocerca volvulus Cathepsin L homolog 0.0081 0.0707 0.2722
Brugia malayi Pre-SET motif family protein 0.0129 0.1236 0.1228
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0513 0.0942
Loa Loa (eye worm) hypothetical protein 0.0037 0.0226 0.0217
Mycobacterium ulcerans aldehyde dehydrogenase 0.0038 0.0232 0.5
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0037 0.0228 0.3147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0038 0.0234 0.0225
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Schistosoma mansoni hypothetical protein 0.0068 0.0561 0.0561
Onchocerca volvulus 0.0037 0.0228 0.0822
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0021 0.0003
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.059 0.1793
Trypanosoma brucei cysteine peptidase C (CPC) 0.0313 0.3251 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0081 0.0707 0.1584
Echinococcus multilocularis cathepsin L cysteine protease 0.0081 0.0707 0.069
Loa Loa (eye worm) cysteine protease 0.0081 0.0707 0.0699
Echinococcus granulosus intermediate filament protein 0.0038 0.0234 0.022
Schistosoma mansoni hypothetical protein 0.018 0.1793 0.1793
Entamoeba histolytica cysteine protease, putative 0.0037 0.0228 0.2241
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Toxoplasma gondii cathepsin CPL 0.0081 0.0707 0.2154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0037 0.0228 0.2241
Brugia malayi Cathepsin L-like precursor 0.0063 0.0513 0.0505
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Brugia malayi Papain family cysteine protease containing protein 0.0081 0.0707 0.0699
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0025 0.009 0.0077
Plasmodium falciparum serine repeat antigen 1 0.0037 0.0228 0.3147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Trypanosoma cruzi major cysteine proteinase, putative 0.0037 0.0228 0.0228
Brugia malayi fibroinase precursor 0.0037 0.0228 0.022
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0037 0.0228 0.0228
Echinococcus multilocularis lamin 0.0038 0.0234 0.0215
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Loa Loa (eye worm) hypothetical protein 0.0054 0.0408 0.04
Schistosoma mansoni cathepsin F (C01 family) 0.0081 0.0707 0.0707
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0034 0.0188 0.0179
Echinococcus granulosus polycomb protein SCMH1 0.003 0.0143 0.0129
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.059 0.0577
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0064 0.0523 0.0523
Echinococcus granulosus GPCR family 2 0.0021 0.0049 0.0035
Schistosoma mansoni lamin 0.0038 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0928 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0019 0.0021 0.0039
Brugia malayi intermediate filament protein 0.0038 0.0234 0.0225
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0038 0.0234 0.0225
Brugia malayi hypothetical protein 0.0025 0.009 0.0082
Entamoeba histolytica cysteine protease, putative 0.0037 0.0228 0.2241
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0228 0.0228
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Schistosoma mansoni intermediate filament proteins 0.0038 0.0234 0.0234
Echinococcus granulosus histone acetyltransferase MYST2 0.0034 0.0188 0.0174
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.0707 0.0707
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0055 0.0423 0.0423
Schistosoma mansoni sex comb on midleg homolog 0.003 0.0143 0.0143
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.002 0.0041 0.0032
Entamoeba histolytica cysteine protease, putative 0.0081 0.0707 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0055 0.0423 0.0423
Brugia malayi hypothetical protein 0.0054 0.0408 0.04
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0513 0.0942
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0928 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0038 0.0234 0.0225
Brugia malayi cathepsin Z-like cysteine proteinase 0.0037 0.0228 0.022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Onchocerca volvulus 0.0147 0.1432 0.5597
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0064 0.0523 0.051
Echinococcus granulosus cysteine protease 0.0055 0.0423 0.0409
Plasmodium vivax unspecified product 0.0037 0.0228 0.3147
Schistosoma mansoni cathepsin C 0.0037 0.0228 0.0228
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.2115 0.2104
Toxoplasma gondii cathepsin B 0.0313 0.3251 1
Loa Loa (eye worm) MBCTL1 0.0034 0.0188 0.0179
Brugia malayi Cathepsin L-like precursor 0.0081 0.0707 0.0699
Brugia malayi cathepsin L-like precursor 0.0063 0.0513 0.0505
Giardia lamblia Cathepsin B precursor 0.0313 0.3251 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Echinococcus granulosus cathepsin b 0.0928 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Entamoeba histolytica cysteine protease, putative 0.0037 0.0228 0.2241
Loa Loa (eye worm) hypothetical protein 0.0034 0.0188 0.0179
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.2115 0.2115
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0037 0.0228 0.3147
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0228 0.022
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0313 0.3251 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0021 0.0049 0.0035
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0038 0.0232 0.0213
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0037 0.0228 0.022
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Echinococcus multilocularis GPCR, family 2 0.0021 0.0049 0.0031
Echinococcus granulosus zinc finger transcription factor gli2 0.0213 0.2158 0.2148
Brugia malayi latrophilin 2 splice variant baaae 0.0046 0.0317 0.0309
Loa Loa (eye worm) cathepsin B 0.0313 0.3251 0.3245
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0037 0.0228 0.0228
Toxoplasma gondii cathepsin CPC2 0.0037 0.0228 0.0678
Loa Loa (eye worm) fibroinase 0.0081 0.0707 0.0699
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Giardia lamblia Cathepsin B precursor 0.0313 0.3251 1
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0228 0.022
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.003 0.0143 0.0143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0423 0.1276
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0928 1 1
Plasmodium vivax vivapain-3 0.0055 0.0423 0.5925
Echinococcus multilocularis cathepsin b 0.0928 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0423 0.5387
Plasmodium vivax unspecified product 0.0018 0.0012 0.0047
Echinococcus multilocularis musashi 0.0038 0.0234 0.0215
Echinococcus multilocularis polycomb protein SCMH1 0.003 0.0143 0.0125
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0037 0.0228 0.0228
Echinococcus multilocularis histone acetyltransferase MYST2 0.0034 0.0188 0.017
Onchocerca volvulus Huntingtin homolog 0.0248 0.2541 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0038 0.0232 0.0687
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0012 0.0003
Brugia malayi cathepsin F-like cysteine proteinase 0.0018 0.0012 0.0003
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0037 0.0228 0.022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0228 0.022
Brugia malayi cathepsin L-like cysteine proteinase 0.0037 0.0228 0.022
Echinococcus multilocularis cathepsin L 0.0037 0.0228 0.021
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0068 0.0561 0.0553
Schistosoma mansoni lamin 0.0038 0.0234 0.0234
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.003 0.0143 0.0483
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0559 0.5955 0.5947
Plasmodium vivax vivapain-2 0.0081 0.0707 1
Brugia malayi MH2 domain containing protein 0.0082 0.0722 0.0713
Onchocerca volvulus Cathepsin L homolog 0.0037 0.0228 0.0822
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0034 0.0188 0.0174
Loa Loa (eye worm) zinc finger protein 0.0213 0.2158 0.2152
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0134
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0037 0.0228 0.0228
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0018 0.0011 0.0002
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0423 0.5387
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0928 1 1
Onchocerca volvulus Cathepsin F homolog 0.0081 0.0707 0.2722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Brugia malayi cathepsin L precursor 0.0037 0.0228 0.022
Echinococcus granulosus cathepsin l1 0.0081 0.0707 0.0694
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0038 0.0232 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0064 0.0523 0.051
Schistosoma mansoni aldehyde dehydrogenase 0.0038 0.0232 0.0232
Brugia malayi cathepsin Z-like cysteine proteinase 0.0037 0.0228 0.022
Loa Loa (eye worm) hypothetical protein 0.0063 0.0513 0.0505
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.0423 0.0414
Trypanosoma cruzi PAB1-binding protein , putative 0.0017 0.0009 0.0009
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0037 0.0228 0.022
Schistosoma mansoni hypothetical protein 0.0021 0.0049 0.0049
Trypanosoma cruzi cysteine protease, putative 0.0055 0.0423 0.0423
Loa Loa (eye worm) ctsf protein 0.0081 0.0707 0.0699
Toxoplasma gondii aldehyde dehydrogenase 0.0038 0.0232 0.0687
Schistosoma mansoni hypothetical protein 0.0021 0.0049 0.0049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0064 0.0523 0.0505
Plasmodium falciparum cysteine proteinase falcipain 1 0.0055 0.0423 0.5925
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0021 0.0049 0.0035
Brugia malayi Latrophilin receptor protein 2 0.0021 0.0049 0.004
Echinococcus multilocularis SAM and MBT domain containing protein 0.003 0.0143 0.0125
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0055 0.0423 0.0423
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0055 0.0423 0.0423
Loa Loa (eye worm) intermediate filament protein 0.0038 0.0234 0.0225
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0037 0.0228 0.3147
Brugia malayi hypothetical protein 0.0248 0.2541 0.2534
Echinococcus granulosus geminin 0.0502 0.5333 0.5326
Brugia malayi mbt repeat family protein 0.003 0.0143 0.0134
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0081 0.0707 0.069
Echinococcus granulosus cathepsin l1 0.0063 0.0513 0.05
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Schistosoma mansoni cathepsin S (C01 family) 0.0037 0.0228 0.0228
Plasmodium falciparum serine repeat antigen 7 0.0037 0.0228 0.3147
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Schistosoma mansoni cathepsin F (C01 family) 0.0081 0.0707 0.0707
Entamoeba histolytica cysteine proteinase 1, putative 0.0055 0.0423 0.5387
Schistosoma mansoni cathepsin F (C01 family) 0.0063 0.0513 0.0513
Plasmodium vivax serine-repeat antigen (SERA) 0.0037 0.0228 0.3147
Loa Loa (eye worm) hypothetical protein 0.0037 0.0228 0.022
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Onchocerca volvulus 0.0038 0.0234 0.0843
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0228 0.0228
Mycobacterium ulcerans aldehyde dehydrogenase 0.0038 0.0232 0.5
Echinococcus multilocularis cysteine protease 0.0081 0.0707 0.069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0067 0.0549 0.054
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Plasmodium falciparum serine repeat antigen 4 0.0037 0.0228 0.3147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Loa Loa (eye worm) hypothetical protein 0.0018 0.0011 0.0002
Entamoeba histolytica hypothetical protein 0.0037 0.0228 0.2241
Entamoeba histolytica cysteine protease, putative 0.0037 0.0228 0.2241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0037 0.0228 0.022
Brugia malayi Cathepsin L-like precursor 0.0081 0.0707 0.0699
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Loa Loa (eye worm) hypothetical protein 0.0063 0.0513 0.0505
Echinococcus multilocularis cysteine protease 0.0081 0.0707 0.069
Echinococcus granulosus cathepsin L 0.0055 0.0423 0.0409
Loa Loa (eye worm) hypothetical protein 0.0063 0.0513 0.0505
Onchocerca volvulus 0.0081 0.0707 0.2722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Brugia malayi cytoplasmic intermediate filament protein 0.002 0.0041 0.0032
Brugia malayi cathepsin F-like cysteine proteinase 0.0037 0.0228 0.022
Brugia malayi Pre-SET motif family protein 0.0019 0.0021 0.0013
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0081 0.0707 1
Plasmodium vivax unspecified product 0.0055 0.0423 0.5925
Onchocerca volvulus 0.0038 0.0234 0.0843
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0117 0.1098 0.1082
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.059 0.0573
Loa Loa (eye worm) transcription factor SMAD2 0.0082 0.0722 0.0713
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0037 0.0228 0.3147
Entamoeba histolytica cysteine protease, putative 0.0037 0.0228 0.2241
Schistosoma mansoni hypothetical protein 0.0025 0.009 0.009
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0313 0.3251 1
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Loa Loa (eye worm) mbt repeat family protein 0.003 0.0143 0.0134
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.059 0.059
Trypanosoma cruzi cruzipain precursor, putative 0.0081 0.0707 0.0707
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0928 1 1
Plasmodium falciparum serine repeat antigen 9 0.0037 0.0228 0.3147
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0021 0.0049 0.004
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0021 0.0049 0.0031
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0037 0.0228 0.0228
Brugia malayi Zinc finger, C2H2 type family protein 0.0213 0.2158 0.2152
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.059 0.059
Schistosoma mansoni sex comb on midleg homolog 0.003 0.0143 0.0143
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0012 0.0012
Brugia malayi Cathepsin L-like cysteine proteinase 0.0063 0.0513 0.0505
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Entamoeba histolytica cysteine proteinase, putative 0.0081 0.0707 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0038 0.0232 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Echinococcus multilocularis lamin dm0 0.0038 0.0234 0.0215
Plasmodium falciparum cysteine proteinase falcipain 3 0.0081 0.0707 1
Loa Loa (eye worm) hypothetical protein 0.0248 0.2541 0.2534
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.0707 0.0707
Plasmodium vivax serine-repeat antigen (SERA) 0.0037 0.0228 0.3147
Plasmodium vivax vivapain-1 0.0055 0.0423 0.5925
Brugia malayi Cathepsin L-like precursor 0.0081 0.0707 0.0699
Schistosoma mansoni hypothetical protein 0.0021 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0021 0.0049 0.0049
Schistosoma mansoni aldehyde dehydrogenase 0.0038 0.0232 0.0232
Echinococcus granulosus lamin dm0 0.0038 0.0234 0.022
Schistosoma mansoni survival motor neuron protein 0.0068 0.0561 0.0561
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0313 0.3251 0.3251
Onchocerca volvulus 0.0081 0.0707 0.2722
Brugia malayi Cathepsin L-like precursor 0.0063 0.0513 0.0505
Entamoeba histolytica cysteine protease, putative 0.0055 0.0423 0.5387
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0081 0.0707 0.1584
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.059 0.1793
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.0423 0.0414
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0081 0.0707 0.2154
Toxoplasma gondii cathepsin CPC1 0.0037 0.0228 0.0678
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.059 0.059
Leishmania major cathepsin L-like protease 0.0081 0.0707 0.2154
Echinococcus granulosus cathepsin b 0.0928 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0423 0.1276
Schistosoma mansoni hypothetical protein 0.0502 0.5333 0.5333
Trypanosoma cruzi cysteine proteinase, putative 0.0055 0.0423 0.0423
Echinococcus multilocularis cathepsin b 0.0928 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0081 0.0707 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0037 0.0228 0.0678
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.0707 0.0707
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.2115 0.21
Echinococcus multilocularis geminin 0.0502 0.5333 0.5324
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0423 0.5387
Loa Loa (eye worm) hypothetical protein 0.0037 0.0228 0.022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0228 0.022
Trypanosoma cruzi cysteine peptidase, putative 0.0081 0.0707 0.0707
Trichomonas vaginalis set domain proteins, putative 0.0147 0.1432 0.3981
Loa Loa (eye worm) hypothetical protein 0.0046 0.0317 0.0309
Brugia malayi Calcitonin receptor-like protein seb-1 0.0067 0.0549 0.054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0081 0.0707 0.1584
Plasmodium falciparum serine repeat antigen 5 0.0037 0.0228 0.3147
Onchocerca volvulus Huntingtin homolog 0.0248 0.2541 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0019 0.0021 0.0003
Loa Loa (eye worm) hypothetical protein 0.0081 0.0707 0.0699
Brugia malayi Cathepsin L-like precursor 0.0081 0.0707 0.0699
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0064 0.0523 0.0523

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.15 uM Inhibitory concentration against human dipeptidyl-peptidase IV ChEMBL. 15837304
IC50 (binding) = 0.15 uM Inhibitory concentration against human dipeptidyl-peptidase IV ChEMBL. 15837304
IC50 (binding) = 51 uM Inhibitory concentration against human dipeptidyl-peptidase VII (QPP) ChEMBL. 15837304
IC50 (binding) = 51 uM Inhibitory concentration against human dipeptidyl-peptidase VII (QPP) ChEMBL. 15837304
IC50 (binding) > 100 uM Inhibitory concentration against human dipeptidyl-peptidase 8 ChEMBL. 15837304
IC50 (binding) > 100 uM Inhibitory concentration against human dipeptidyl-peptidase 9 ChEMBL. 15837304
IC50 (binding) > 100 uM Inhibitory concentration against human dipeptidyl-peptidase 8 ChEMBL. 15837304
IC50 (binding) > 100 uM Inhibitory concentration against human dipeptidyl-peptidase 9 ChEMBL. 15837304

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

1 literature reference was collected for this gene.

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