Detailed information for compound 1429763

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.383 | Formula: C20H19N3O4
  • H donors: 1 H acceptors: 2 LogP: 4.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1COc2c(O1)cccc2)N=Nc1c2ccccc2n(c1O)C(C)C
  • InChi: 1S/C20H19N3O4/c1-12(2)23-14-8-4-3-7-13(14)18(20(23)25)21-22-19(24)17-11-26-15-9-5-6-10-16(15)27-17/h3-10,12,17,25H,11H2,1-2H3
  • InChiKey: FMYIKMKBBNKXQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0614 0.5
Echinococcus multilocularis cathepsin b 0.0306 0.3481 0.3481
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0614 0.0614
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0059 0.0432 0.1014
Schistosoma mansoni lamin 0.0033 0.011 0.011
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Giardia lamblia Cathepsin B precursor 0.0123 0.1224 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.356 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.356 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0127 0.1276 0.3174
Onchocerca volvulus Cathepsin L homolog 0.0041 0.0213 0.0485
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Echinococcus granulosus cathepsin b 0.0306 0.3481 0.3481
Schistosoma mansoni cathepsin F (C01 family) 0.0186 0.2 0.2
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Brugia malayi cathepsin F-like cysteine proteinase 0.0041 0.0213 0.0385
Trypanosoma cruzi cysteine peptidase, putative 0.0186 0.2 0.5467
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Plasmodium falciparum cysteine proteinase falcipain 3 0.0186 0.2 1
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Echinococcus multilocularis cysteine protease 0.0186 0.2 0.2
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0041 0.0213 0.0558
Entamoeba histolytica cysteine proteinase, putative 0.0186 0.2 1
Trypanosoma cruzi cysteine peptidase, putative 0.0186 0.2 0.5467
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Onchocerca volvulus 0.0041 0.0213 0.0485
Trypanosoma cruzi cysteine peptidase, putative 0.0186 0.2 0.5467
Echinococcus granulosus cathepsin L 0.0041 0.0213 0.0213
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Plasmodium vivax vivapain-3 0.01 0.0938 0.4054
Trypanosoma cruzi cysteine protease, putative 0.01 0.0938 0.2216
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.01 0.0938 0.2164
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0693 0.0693
Loa Loa (eye worm) hypothetical protein 0.0033 0.011 0.0267
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0278 0.0278
Echinococcus granulosus geminin 0.0205 0.2235 0.2235
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0041 0.0213 0.0213
Plasmodium vivax unspecified product 0.01 0.0938 0.4054
Plasmodium vivax vivapain-2 0.0186 0.2 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0693 0.0693
Echinococcus granulosus cathepsin l1 0.0127 0.1276 0.1276
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0452 0.1069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0306 0.3481 0.3481
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Onchocerca volvulus 0.0186 0.2 0.8892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.01 0.0938 0.2164
Brugia malayi Bromodomain containing protein 0.0091 0.0827 0.2147
Schistosoma mansoni cathepsin S (C01 family) 0.0041 0.0213 0.0213
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.01 0.0938 0.0938
Echinococcus multilocularis geminin 0.0205 0.2235 0.2235
Onchocerca volvulus Cathepsin L homolog 0.0186 0.2 0.8892
Loa Loa (eye worm) cysteine protease 0.0186 0.2 0.5599
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.0558
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0044 0.0044
Entamoeba histolytica cysteine proteinase, putative 0.01 0.0938 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0059 0.0432 0.067
Loa Loa (eye worm) ctsf protein 0.0186 0.2 0.5599
Schistosoma mansoni cathepsin C 0.0041 0.0213 0.0213
Schistosoma mansoni hypothetical protein 0.0205 0.2235 0.2235
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.356 1
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.01 0.0938 0.0938
Schistosoma mansoni cathepsin F (C01 family) 0.0186 0.2 0.2
Loa Loa (eye worm) hypothetical protein 0.0127 0.1276 0.3555
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Onchocerca volvulus 0.0186 0.2 0.8892
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0693 0.1466
Brugia malayi Papain family cysteine protease containing protein 0.0186 0.2 0.5518
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.0558
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0693 0.1466
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0041 0.0213 0.0213
Entamoeba histolytica cysteine protease, putative 0.0186 0.2 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.0558
Echinococcus multilocularis lamin 0.0033 0.011 0.011
Brugia malayi fibroinase precursor 0.0041 0.0213 0.0385
Loa Loa (eye worm) hypothetical protein 0.0085 0.0763 0.2108
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.0558
Schistosoma mansoni cathepsin B (C01 family) 0.0041 0.0213 0.0213
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0693 0.2682
Plasmodium falciparum cysteine proteinase falcipain 1 0.01 0.0938 0.4054
Brugia malayi Cathepsin L-like precursor 0.0186 0.2 0.5518
Echinococcus multilocularis musashi 0.0033 0.011 0.011
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Loa Loa (eye worm) cathepsin B 0.0123 0.1224 0.341
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0693 0.0569
Brugia malayi Papain family cysteine protease containing protein 0.01 0.0938 0.2466
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.0558
Entamoeba histolytica cysteine proteinase, putative 0.01 0.0938 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.01 0.0938 0.2216
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Entamoeba histolytica cysteine proteinase, putative 0.0127 0.1276 0.5946
Trypanosoma cruzi cruzipain precursor, putative 0.0059 0.0432 0.067
Brugia malayi Cathepsin L-like precursor 0.0127 0.1276 0.3437
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0306 0.3481 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0186 0.2 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0306 0.3481 0.9775
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0186 0.2 0.5599
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0041 0.0213 0.0213
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0216 0.0393
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0123 0.1224 0.4404
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0041 0.0213 0.0385
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0598 0.0598
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2371 0.6449
Schistosoma mansoni cathepsin F (C01 family) 0.0127 0.1276 0.1276
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0123 0.1224 0.1224
Schistosoma mansoni bromodomain containing protein 0.0076 0.0652 0.0652
Onchocerca volvulus 0.0186 0.2 0.8892
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.0938 0.1875
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0244 0.0244
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.011 0.011
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0452 0.1069
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Loa Loa (eye worm) hypothetical protein 0.0127 0.1276 0.3555
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0041 0.0213 0.0558
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0041 0.0213 0.0213
Brugia malayi Papain family cysteine protease containing protein 0.0041 0.0213 0.0385
Plasmodium vivax vivapain-1 0.01 0.0938 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0123 0.1224 0.3093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0127 0.1276 0.3174
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0123 0.1224 0.302
Schistosoma mansoni lamin 0.0033 0.011 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0306 0.3481 0.3481
Trypanosoma brucei cysteine peptidase C (CPC) 0.0123 0.1224 0.4066
Toxoplasma gondii cathepsin B 0.0123 0.1224 0.5658
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Loa Loa (eye worm) hypothetical protein 0.0059 0.0432 0.1175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0186 0.2 0.5339
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0693 0.1761
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Schistosoma mansoni hypothetical protein 0.0025 0.0016 0.0016
Onchocerca volvulus Cathepsin L homolog 0.0186 0.2 0.8892
Schistosoma mansoni hypothetical protein 0.0041 0.0216 0.0216
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0598 0.0598
Brugia malayi cathepsin Z-like cysteine proteinase 0.0041 0.0213 0.0385
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2235 1
Echinococcus granulosus cathepsin L cysteine protease 0.01 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.0041 0.0213 0.0558
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Echinococcus granulosus intermediate filament protein 0.0033 0.011 0.011
Brugia malayi Cathepsin L-like precursor 0.0186 0.2 0.5518
Loa Loa (eye worm) hypothetical protein 0.006 0.0452 0.123
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0041 0.0213 0.0213
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0344 0.0926
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Loa Loa (eye worm) fibroinase 0.0186 0.2 0.5599
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Echinococcus granulosus cathepsin l1 0.0186 0.2 0.2
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0614 0.0614
Brugia malayi cathepsin L-like cysteine proteinase 0.0041 0.0213 0.0385
Onchocerca volvulus 0.0186 0.2 0.8892
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0693 0.0693
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Brugia malayi cathepsin Z-like cysteine proteinase 0.0041 0.0213 0.0385
Entamoeba histolytica cysteine proteinase, putative 0.01 0.0938 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Brugia malayi Papain family cysteine protease containing protein 0.0041 0.0213 0.0385
Loa Loa (eye worm) hypothetical protein 0.0059 0.0432 0.1175
Plasmodium vivax unspecified product 0.0059 0.0432 0.1225
Brugia malayi Cathepsin L-like precursor 0.0186 0.2 0.5518
Brugia malayi Papain family cysteine protease containing protein 0.01 0.0938 0.2466
Trypanosoma cruzi cysteine proteinase, putative 0.01 0.0938 0.2216
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Onchocerca volvulus 0.0186 0.2 0.8892
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Loa Loa (eye worm) hypothetical protein 0.0306 0.3481 0.9779
Schistosoma mansoni hypothetical protein 0.0205 0.2235 0.2235
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0452 0.123
Echinococcus granulosus cathepsin L 0.01 0.0938 0.0938
Plasmodium vivax vivapain-2 0.0186 0.2 1
Brugia malayi cathepsin L-like precursor 0.0127 0.1276 0.3437
Loa Loa (eye worm) intermediate filament protein 0.0033 0.011 0.0267
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0693 0.191
Brugia malayi cathepsin L precursor 0.0041 0.0213 0.0385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Trypanosoma cruzi cysteine peptidase, putative 0.0186 0.2 0.5467
Loa Loa (eye worm) hypothetical protein 0.0127 0.1276 0.3555
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0041 0.0213 0.0213
Echinococcus multilocularis cathepsin L cysteine protease 0.0186 0.2 0.2
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2371 0.6449
Brugia malayi cathepsin F-like cysteine proteinase 0.0059 0.0432 0.1014
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0044 0.0044
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0186 0.2 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.356 1
Schistosoma mansoni cathepsin s 0.0059 0.0432 0.0432
Echinococcus granulosus cysteine protease 0.01 0.0938 0.0938
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0186 0.2 0.2
Brugia malayi Cathepsin L-like precursor 0.0127 0.1276 0.3437
Giardia lamblia Cathepsin B precursor 0.0123 0.1224 1
Brugia malayi intermediate filament protein 0.0033 0.011 0.0088
Echinococcus multilocularis cathepsin L 0.01 0.0938 0.0938
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0127 0.1276 0.325
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.356 1
Trypanosoma cruzi cruzipain precursor, putative 0.0186 0.2 0.5467
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.356 1
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Loa Loa (eye worm) hypothetical protein 0.0059 0.0432 0.1175
Entamoeba histolytica cysteine proteinase, putative 0.01 0.0938 0.4054
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0041 0.0213 0.0213
Echinococcus multilocularis cathepsin L cysteine protease 0.0186 0.2 0.2
Brugia malayi Bromodomain containing protein 0.0046 0.0279 0.0574
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0306 0.3481 0.3481
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0614 0.0614
Brugia malayi Cathepsin L-like precursor 0.0059 0.0432 0.1014
Entamoeba histolytica cysteine proteinase 1, putative 0.01 0.0938 0.4054
Loa Loa (eye worm) hypothetical protein 0.0046 0.028 0.0746
Onchocerca volvulus 0.0127 0.1276 0.5484
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0041 0.0213 0.0213
Onchocerca volvulus 0.0186 0.2 0.8892
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.01 0.0938 0.0938
Echinococcus granulosus cathepsin l cysteine peptidase 0.0186 0.2 0.2
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0186 0.2 0.5339
Loa Loa (eye worm) hypothetical protein 0.0041 0.0216 0.0566
Loa Loa (eye worm) hypothetical protein 0.0186 0.2 0.5599
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0614 0.0614
Brugia malayi Cathepsin L-like precursor 0.0186 0.2 0.5518
Giardia lamblia Cathepsin B precursor 0.0123 0.1224 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Echinococcus granulosus lamin dm0 0.0033 0.011 0.011
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.356 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Brugia malayi Cathepsin L-like precursor 0.0186 0.2 0.5518
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Echinococcus multilocularis cathepsin L 0.0041 0.0213 0.0213
Echinococcus granulosus cathepsin L cysteine proteinase 0.0186 0.2 0.2
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0306 0.3481 0.3481
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0614 0.224
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.011 0.0088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.01 0.0938 0.1875
Onchocerca volvulus Cathepsin F homolog 0.0186 0.2 0.8892
Echinococcus multilocularis cathepsin b 0.0306 0.3481 0.3481
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0049 0.0316 0.0846
Onchocerca volvulus 0.0186 0.2 0.8892
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0059 0.0432 0.1175
Entamoeba histolytica cysteine proteinase 2 0.01 0.0938 0.4054
Leishmania major cysteine peptidase A (CPA) 0.0186 0.2 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0614 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0186 0.2 0.5599
Loa Loa (eye worm) hypothetical protein 0.0032 0.0103 0.0246
Brugia malayi Cathepsin L-like precursor 0.0186 0.2 0.5518
Brugia malayi Cathepsin L-like cysteine proteinase 0.0127 0.1276 0.3437
Schistosoma mansoni intermediate filament proteins 0.0033 0.011 0.011
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.011 0.0267
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0041 0.0213 0.0213
Trypanosoma cruzi cysteine peptidase, putative 0.01 0.0938 0.2216
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0614 0.5
Echinococcus granulosus cathepsin b 0.0306 0.3481 0.3481
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.01 0.0938 0.2216
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0186 0.2 0.2
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0186 0.2 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.356 1
Brugia malayi Papain family cysteine protease containing protein 0.0041 0.0213 0.0385
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2235 0.6042
Echinococcus granulosus lamin 0.0033 0.011 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0186 0.2 0.5339
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0614 0.5
Leishmania major cathepsin L-like protease 0.0186 0.2 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0186 0.2 0.5339
Toxoplasma gondii cathepsin CPL 0.0186 0.2 1
Echinococcus multilocularis cysteine protease 0.0186 0.2 0.2
Entamoeba histolytica cysteine protease, putative 0.01 0.0938 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0041 0.0213 0.0558
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0278 0.0278
Entamoeba histolytica cysteine proteinase, putative 0.0186 0.2 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) = 15.8489 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5962 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) 35.4813 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 100 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
Saccharomyces cerevisiae ChEMBL23
Homo sapiens ChEMBL23
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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