Detailed information for compound 1420605

Basic information

Technical information
  • TDR Targets ID: 1420605
  • Name: [4-(2-fluorophenyl)piperazin-1-yl]-[5-[(4-met hoxyphenyl)sulfonylmethyl]furan-2-yl]methanon e
  • MW: 458.503 | Formula: C23H23FN2O5S
  • H donors: 0 H acceptors: 3 LogP: 3.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccccc1F
  • InChi: 1S/C23H23FN2O5S/c1-30-17-6-9-19(10-7-17)32(28,29)16-18-8-11-22(31-18)23(27)26-14-12-25(13-15-26)21-5-3-2-4-20(21)24/h2-11H,12-16H2,1H3
  • InChiKey: FKDABWXJQMGYQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(2-fluorophenyl)piperazin-1-yl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furyl]methanone
  • [4-(2-fluorophenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furyl]methanone
  • MLS000878420
  • SMR000094501
  • MLS000117553

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii proteasome beta subunit 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) PAS-3 protein 0.0029 0.0244 0.0296
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Conserved protein 0.0036 0.0434 0.0297
Leishmania major proteasome beta-1 subunit, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0202 0.5284 0.6412
Echinococcus granulosus subfamily T1A non peptidase ue 0.0029 0.0244 0.0244
Echinococcus granulosus snurportin 1 0.0304 0.8241 0.8241
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0054 0.0967 0.1455
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0434 0.0653
Giardia lamblia 20S proteasome alpha subunit 3 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0249 0.6645 1
Brugia malayi proteasome subunit beta type 2 0.0054 0.0967 0.1455
Trypanosoma brucei proteasome subunit alpha type-5, putative 0.0029 0.0244 0.0367
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0202 0.5284 0.7952
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1196 0.1451
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0249 0.6645 0.8063
Leishmania major proteasome beta 7 subunit, putative 0.0029 0.0244 0.0367
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0029 0.0244 0.0244
Giardia lamblia 20S proteasome alpha subunit 7 0.0029 0.0244 0.0367
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0248 0.0248
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0029 0.0244 0.0244
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0029 0.0244 0.0244
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0029 0.0244 0.0367
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0029 0.0244 0.0244
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.3951 0.3951
Mycobacterium ulcerans proteasome PrcB 0.0249 0.6645 1
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0029 0.0244 0.0244
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0029 0.0244 0.0367
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0434 0.0297
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0519 0.0781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0871 0.0871
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Brugia malayi beta-lactamase 0.0036 0.0434 0.0653
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0655 0.0985
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1196 0.1196
Leishmania major proteasome beta 5 subunit, putative 0.0249 0.6645 1
Trypanosoma cruzi hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B 0.0029 0.0244 0.0367
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0527
Toxoplasma gondii proteasome subunit alpha type, putative 0.0029 0.0244 0.0367
Echinococcus granulosus proteasome subunit beta type 6 0.0029 0.0244 0.0244
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0062 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0871 0.0871
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0871 0.1057
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0029 0.0244 0.0244
Echinococcus multilocularis geminin 0.0364 1 1
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0054 0.0967 0.1455
Giardia lamblia Proteasome subunit beta type 2 0.0054 0.0967 0.1455
Brugia malayi proteasome subunit beta type 3 0.0029 0.0244 0.0367
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0248 0.0373
Leishmania major proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative) 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0527
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0434 0.0297
Trypanosoma brucei proteasome alpha 7 subunit 0.0029 0.0244 0.0367
Schistosoma mansoni ap endonuclease 0.0039 0.0519 0.0519
Trypanosoma brucei proteasome beta 2 subunit, putative 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit beta type 1, putative 0.008 0.1716 0.2583
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.5375 0.6521
Brugia malayi Proteasome A-type and B-type family protein 0.0029 0.0244 0.0367
Echinococcus granulosus importin subunit beta 1 0.0028 0.0219 0.0219
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0871 0.131
Plasmodium vivax proteasome subunit beta type-4, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6201 0.9332
Trypanosoma cruzi proteasome beta 2 subunit, putative 0.0029 0.0244 0.0367
Brugia malayi proteasome subunit alpha type 3 0.0029 0.0244 0.0367
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0029 0.0244 0.0244
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0519 0.0519
Echinococcus granulosus Proteasome subunit alpha type 7 0.0029 0.0244 0.0244
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0054 0.0967 0.0967
Brugia malayi proteasome subunit alpha type 4 0.0029 0.0244 0.0367
Onchocerca volvulus 0.0029 0.0248 0.0007
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0519 0.0629
Toxoplasma gondii proteasome subunit beta type 1, putative 0.008 0.1716 0.2583
Plasmodium falciparum proteasome subunit beta type-1, putative 0.008 0.1716 0.2583
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0248 0.0248
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0029 0.0244 0.0296
Onchocerca volvulus 0.0036 0.0434 0.0319
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1196 0.1196
Schistosoma mansoni hypothetical protein 0.0304 0.8241 0.8241
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0029 0.0244 0.0367
Mycobacterium ulcerans lipase LipD 0.0036 0.0434 0.0297
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0029 0.0244 0.0244
Echinococcus multilocularis proteasome subunit beta type 6 0.0029 0.0244 0.0244
Leishmania major proteasome alpha 3 subunit, putative 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.6062 0.909
Plasmodium vivax proteasome subunit beta type-5, putative 0.0249 0.6645 1
Giardia lamblia Proteasome subunit beta type 4 precursor 0.0029 0.0244 0.0367
Leishmania major proteasome alpha 1 subunit, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0219 0.0219
Plasmodium falciparum proteasome subunit beta type-5 0.0249 0.6645 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0434 0.0653
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0655 0.0985
Loa Loa (eye worm) hypothetical protein 0.0029 0.0248 0.0301
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.008 0.1716 0.2583
Echinococcus granulosus tar DNA binding protein 0.0062 0.1196 0.1196
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0029 0.0244 0.0244
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0029 0.0244 0.0367
Entamoeba histolytica hypothetical protein 0.0023 0.0062 0.0093
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0029 0.0244 0.0244
Trypanosoma brucei proteasome alpha 2 subunit, putative 0.0029 0.0244 0.0367
Giardia lamblia 20S proteasome alpha subunit 6 0.0029 0.0244 0.0367
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0029 0.0244 0.0244
Leishmania major proteasome beta 2 subunit, putative 0.0054 0.0967 0.1455
Mycobacterium leprae Probable lipase LipE 0.0036 0.0434 0.0297
Brugia malayi Proteasome A-type and B-type family protein 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0249 0.6645 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.077 0.1158
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0029 0.0244 0.0367
Plasmodium vivax proteasome subunit beta type-6, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis snurportin 1 0.0304 0.8241 0.8241
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0029 0.0244 0.0296
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.008 0.1716 0.1716
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0249 0.6645 1
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0029 0.0244 0.0367
Leishmania major hypothetical protein, conserved 0.0036 0.0434 0.0653
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0871 0.0871
Trypanosoma cruzi 20S proteasome subunit 0.0054 0.0967 0.1455
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0249 0.6645 1
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0029 0.0244 0.0244
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0249 0.6645 0.6645
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0034 0.0378 0.0459
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0062 0.0093
Schistosoma mansoni importin beta-1 0.0028 0.0219 0.0219
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1196 0.1799
Brugia malayi RNA, U transporter 1 0.0081 0.1748 0.263
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0519 0.0429
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0519 0.0781
Echinococcus granulosus proteasome subunit alpha type 2 0.0029 0.0244 0.0244
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0029 0.0244 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0248 0.0248
Plasmodium vivax proteasome subunit beta type-7, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0029 0.0244 0.0244
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0029 0.0244 0.0296
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0029 0.0244 0.0367
Leishmania major proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0054 0.0967 0.1455
Toxoplasma gondii proteasome subunit beta type, putative 0.0249 0.6645 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0378 0.0569
Plasmodium vivax proteasome subunit alpha type-3, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0029 0.0244 0.0244
Brugia malayi Proteasome subunit alpha type 1 0.0029 0.0244 0.0367
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0029 0.0244 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1196 0.1196
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0029 0.0244 0.0244
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0434 0.0297
Entamoeba histolytica proteasome subunit beta type 7-B precursor, putative 0.0029 0.0244 0.0367
Brugia malayi TAR-binding protein 0.0062 0.1196 0.1799
Entamoeba histolytica proteasome subunit beta type 6 precursor, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0527
Echinococcus multilocularis proteasome subunit alpha type 6 0.0029 0.0244 0.0244
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0029 0.0244 0.0244
Brugia malayi acetyltransferase, GNAT family protein 0.0161 0.4083 0.6144
Schistosoma mansoni ap endonuclease 0.0039 0.0519 0.0519
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0249 0.6645 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0029 0.0244 0.0367
Trypanosoma brucei proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0029 0.0244 0.0296
Brugia malayi proteasome subunit alpha type 1 0.0029 0.0244 0.0367
Trypanosoma brucei proteasome alpha 3 subunit, putative 0.0029 0.0244 0.0367
Brugia malayi Pre-SET motif family protein 0.0205 0.5375 0.8088
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0248 0.0248
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0054 0.0967 0.0967
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0836 0.1014
Echinococcus granulosus proteasome prosome macropain 0.0249 0.6645 0.6645
Loa Loa (eye worm) proteasome subunit beta type 3 0.0029 0.0244 0.0296
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0029 0.0244 0.0244
Plasmodium falciparum proteasome subunit beta type-3, putative 0.0029 0.0244 0.0367
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0434 0.0434
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0434 0.0653
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0029 0.0244 0.0367
Brugia malayi Proteasome A-type and B-type family protein 0.0249 0.6645 1
Trypanosoma brucei proteasome beta-1 subunit, putative 0.0029 0.0244 0.0367
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0029 0.0244 0.0244
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Plasmodium vivax importin-beta 2, putative 0.0028 0.0219 0.0329
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1196 0.1196
Plasmodium vivax proteasome subunit alpha type-2, putative 0.0029 0.0244 0.0367
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0519 0.5
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0029 0.0244 0.0367
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0248 0.0248
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0871 0.0871
Leishmania major proteasome beta 2 subunit, putative 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0029 0.0244 0.0367
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0028 0.0219 0.0266
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0249 0.6645 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0062 0.0093
Toxoplasma gondii exonuclease III APE 0.0039 0.0519 0.0781
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0029 0.0244 0.0296
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0029 0.0244 0.0367
Toxoplasma gondii proteasome subunit 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Conserved protein 0.0036 0.0434 0.0297
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0219 0.0329
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0029 0.0244 0.0367
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0519 0.0781
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0434 0.0297
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0519 0.0781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0519 0.0781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0871 0.0871
Leishmania major proteasome alpha 2 subunit, putative 0.0029 0.0244 0.0367
Trypanosoma brucei proteasome beta 7 subunit 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0434 0.0297
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0434 0.0653
Loa Loa (eye worm) beta-lactamase 0.0036 0.0434 0.0527
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0029 0.0244 0.0296
Toxoplasma gondii heat shock protein hslv, putative 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0029 0.0244 0.0367
Brugia malayi beta-lactamase family protein 0.0036 0.0434 0.0653
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0029 0.0244 0.0244
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.077 0.1158
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.008 0.1716 0.2583
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0029 0.0244 0.0367
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0029 0.0244 0.0367
Loa Loa (eye worm) acetyltransferase 0.0161 0.4083 0.4954
Leishmania major proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Mycobacterium ulcerans beta-lactamase 0.0036 0.0434 0.0297
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1196 0.1196
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.8241 1
Brugia malayi 20S proteasome alpha5 subunit 0.0029 0.0244 0.0367
Plasmodium vivax SET domain protein, putative 0.0029 0.0248 0.0373
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0029 0.0244 0.0367
Echinococcus granulosus proteasome subunit beta type 7 0.0029 0.0244 0.0244
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0519 0.0781
Giardia lamblia 20S proteasome alpha subunit 2 0.0029 0.0244 0.0367
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.008 0.1716 0.1716
Plasmodium vivax proteasome subunit alpha type-7, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0527
Schistosoma mansoni hypothetical protein 0.0364 1 1
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0029 0.0244 0.0296
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0054 0.0967 0.0967
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0217 0.0217
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0161 0.4083 0.4083
Echinococcus granulosus proteasome prosome macropain subunit beta 0.008 0.1716 0.1716
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0434 0.0527
Entamoeba histolytica calcium-dependent protein kinase 2, putative 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0029 0.0244 0.0367
Onchocerca volvulus 0.0036 0.0434 0.0319
Toxoplasma gondii ABC1 family protein 0.0036 0.0434 0.0653
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0029 0.0244 0.0367
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.077 0.1158
Toxoplasma gondii peptidase, T1 family protein 0.0029 0.0244 0.0367
Plasmodium vivax ATP-dependent protease subunit ClpQ, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis proteasome subunit beta type 7 0.0029 0.0244 0.0244
Loa Loa (eye worm) proteasome subunit beta type 2 0.0054 0.0967 0.1173
Plasmodium falciparum importin beta, putative 0.0028 0.0219 0.0329
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Brugia malayi Importin beta-1 subunit 0.0028 0.0219 0.0329
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0054 0.0967 0.1455
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0029 0.0244 0.0367
Schistosoma mansoni hypothetical protein 0.0364 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0054 0.0967 0.1455
Brugia malayi Proteasome A-type and B-type family protein 0.0029 0.0244 0.0367
Giardia lamblia 20S proteasome alpha subunit 1 0.0029 0.0244 0.0367
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.0029 0.0244 0.0367
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0161 0.4083 0.4083
Trypanosoma cruzi ATP-dependent protease subunit HslV, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0029 0.0244 0.0296
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.008 0.1716 0.2583
Trypanosoma brucei proteasome beta 3 subunit, putative 0.0029 0.0244 0.0367
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0029 0.0244 0.0244
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.077 0.1158
Brugia malayi beta-lactamase family protein 0.0036 0.0434 0.0653
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0029 0.0244 0.0244
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0029 0.0244 0.0367
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0434 0.0653
Echinococcus multilocularis proteasome subunit alpha type 2 0.0029 0.0244 0.0244
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0029 0.0244 0.0244
Leishmania major proteasome beta 3 subunit, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0062 0.0093
Giardia lamblia Proteasome subunit beta type 7 precursor 0.0029 0.0244 0.0367
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0519 0.0781
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0249 0.6645 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0519 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0434 0.0297
Echinococcus granulosus proteasome subunit beta t family 0.0029 0.0244 0.0244
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0434 0.0297
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0519 0.0429
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0434 0.0297
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0434 0.0653
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0219 0.0329
Echinococcus granulosus Proteasome subunit alpha beta 0.0029 0.0244 0.0244
Trypanosoma cruzi proteasome subunit alpha type-1, putative 0.0029 0.0244 0.0367
Brugia malayi Proteasome subunit alpha type 7-1 0.0029 0.0244 0.0367
Mycobacterium ulcerans hypothetical protein 0.0036 0.0434 0.0297
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0029 0.0244 0.0296
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0248 0.0248
Plasmodium vivax proteasome subunit alpha type-4, putative 0.0029 0.0244 0.0367
Giardia lamblia Proteasome subunit beta type 3 0.0029 0.0244 0.0367
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0655 0.0985
Entamoeba histolytica proteasome subunit alpha type 1, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0248 0.0248
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0029 0.0244 0.0367
Giardia lamblia Proteasome subunit beta type 1 0.008 0.1716 0.2583
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0054 0.0967 0.1455
Schistosoma mansoni hypothetical protein 0.0034 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0527
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0527
Plasmodium vivax proteasome subunit beta type-1, putative 0.008 0.1716 0.2583
Onchocerca volvulus 0.0036 0.0434 0.0319
Leishmania major hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B 0.0029 0.0244 0.0367
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0434 0.0434
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0219 0.0329
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0434 0.0297
Plasmodium vivax proteasome subunit alpha type-6, putative 0.0029 0.0244 0.0367
Plasmodium falciparum proteasome subunit beta type-6, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0029 0.0244 0.0367
Plasmodium vivax proteasome subunit alpha type-5, putative 0.0029 0.0244 0.0367
Toxoplasma gondii proteasome subunit alpha1, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1196 0.1451
Brugia malayi Pre-SET motif family protein 0.0029 0.0248 0.0373
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0519 0.0781
Brugia malayi RNA binding protein 0.0062 0.1196 0.1799
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0029 0.0244 0.0367
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0434 0.0653
Plasmodium vivax proteasome subunit beta type-3, putative 0.0029 0.0244 0.0367
Onchocerca volvulus 0.0234 0.6201 1
Trypanosoma brucei Proteasome subunit A N-terminal signature/Proteasome subunit, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0249 0.6645 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1196 0.1196
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0434 0.0653
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0519 0.0781
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0029 0.0244 0.0367
Plasmodium vivax proteasome subunit alpha type-1, putative 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit beta Type 4 precursor, putative 0.0029 0.0244 0.0367
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0054 0.0967 0.1455
Plasmodium falciparum proteasome subunit beta type-4 0.0029 0.0244 0.0367
Entamoeba histolytica proteasome subunit alpha type 6, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0434 0.0653
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0519 0.0781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0871 0.0871
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.077 0.077
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0434 0.0434
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0871 0.0871
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0029 0.0244 0.0367
Brugia malayi proteasome subunit alpha type 6 0.0029 0.0244 0.0367
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0434 0.0297
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0029 0.0244 0.0367
Brugia malayi proteasome subunit beta type 1 0.008 0.1716 0.2583
Trypanosoma brucei proteasome beta 6 subunit 0.008 0.1716 0.2583
Trypanosoma brucei ATP-dependent protease subunit HslV 0.0029 0.0244 0.0367
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0029 0.0244 0.0244
Echinococcus granulosus proteasome subunit alpha type 6 0.0029 0.0244 0.0244
Loa Loa (eye worm) proteasome subunit beta type 1 0.008 0.1716 0.2083
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0054 0.0967 0.0967
Giardia lamblia 20S proteasome alpha subunit 5 0.0029 0.0244 0.0367
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0029 0.0244 0.0367
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0029 0.0244 0.0244
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome beta 7 subunit, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0168 0.4296 0.4296
Echinococcus multilocularis proteasome (prosome, macropain) 0.0249 0.6645 0.6645
Trypanosoma brucei proteasome alpha 1 subunit, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.008 0.1716 0.2583
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.077 0.1158
Entamoeba histolytica proteasome subunit beta type 3, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0434 0.0434
Entamoeba histolytica proteasome subunit alpha type 2-A, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0519 0.0781
Trichomonas vaginalis esterase, putative 0.0036 0.0434 0.0653
Plasmodium vivax proteasome subunit beta type-2, putative 0.0054 0.0967 0.1455
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0029 0.0244 0.0244
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0168 0.4296 0.4296
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.0029 0.0244 0.0367
Loa Loa (eye worm) RNA binding protein 0.0062 0.1196 0.1451
Giardia lamblia Proteasome subunit beta type 9 precursor 0.0029 0.0244 0.0367
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0836 0.1258
Giardia lamblia 20S proteasome alpha subunit 4 0.0029 0.0244 0.0367
Leishmania major proteasome alpha 1 subunit, putative 0.0029 0.0244 0.0367
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0029 0.0244 0.0244
Mycobacterium tuberculosis Conserved protein 0.0036 0.0434 0.0297
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0434 0.0653
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0062 0.0093
Brugia malayi proteasome subunit alpha type 2 0.0029 0.0244 0.0367
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.0029 0.0244 0.0367
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0029 0.0244 0.0367

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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