Detailed information for compound 1654712

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.879 | Formula: C22H21ClN4O5
  • H donors: 4 H acceptors: 5 LogP: 3.76 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)c1cnc(o1)C(=O)N[C@H](C(=O)O)C(C)C
  • InChi: 1S/C22H21ClN4O5/c1-12(2)18(21(29)30)27-19(28)20-24-11-17(32-20)13-3-7-15(8-4-13)25-22(31)26-16-9-5-14(23)6-10-16/h3-12,18H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/t18-/m0/s1
  • InChiKey: XZNJGZRWBDUAHE-SFHVURJKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis histone acetyltransferase MYST2 0.0044 0.0688 0.0688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Echinococcus granulosus cysteine protease 0.0048 0.0803 0.0803
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Schistosoma mansoni tar DNA-binding protein 0.0052 0.0904 0.1235
Echinococcus granulosus geminin 0.0143 0.3662 0.3662
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0039 0.0525 0.067
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0046 0.0739 0.0739
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0046 0.0739 0.332
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.0315 0.0529
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0032 0.0315 0.0706
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.0803 0.1666
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0081 0.0008
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0268 0.0378
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0091 0.2074 0.4648
Echinococcus multilocularis lamin 0.0045 0.07 0.07
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0091 0.2074 0.4648
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Entamoeba histolytica cysteine proteinase, putative 0.0091 0.2074 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Trypanosoma cruzi cysteine protease, putative 0.0048 0.0803 0.1607
Leishmania major cysteine peptidase A (CPA) 0.0091 0.2074 0.447
Onchocerca volvulus 0.0091 0.2074 0.3916
Echinococcus granulosus cathepsin b 0.0133 0.3359 0.3359
Entamoeba histolytica cysteine proteinase, putative 0.0091 0.2074 1
Leishmania major cathepsin L-like protease 0.0091 0.2074 0.447
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.005 0.086 0.1927
Loa Loa (eye worm) intermediate filament protein 0.0045 0.07 0.1568
Brugia malayi Cathepsin L-like precursor 0.0091 0.2074 0.4561
Leishmania major proteasome beta 5 subunit, putative 0.005 0.086 0.1816
Echinococcus granulosus cathepsin L cysteine proteinase 0.0091 0.2074 0.2074
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.3359 0.4894
Mycobacterium ulcerans aldehyde dehydrogenase 0.0051 0.0894 1
Schistosoma mansoni ap endonuclease 0.0046 0.0739 0.0989
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Echinococcus multilocularis cathepsin b 0.0133 0.3359 0.3359
Treponema pallidum exodeoxyribonuclease (exoA) 0.0046 0.0739 0.5
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Plasmodium vivax vivapain-1 0.0048 0.0803 0.3642
Loa Loa (eye worm) hypothetical protein 0.0062 0.1208 0.2707
Trypanosoma brucei cysteine peptidase C (CPC) 0.0055 0.0995 0.2136
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Brugia malayi Cathepsin L-like precursor 0.0091 0.2074 0.4561
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.0315 0.0529
Echinococcus multilocularis cysteine protease 0.0091 0.2074 0.2074
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0138 0.3496 0.7799
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Leishmania major cathepsin L-like protease 0.0091 0.2074 0.447
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0078 0.1705 1
Schistosoma mansoni lamin 0.0045 0.07 0.093
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Brugia malayi Cathepsin L-like precursor 0.0029 0.0214 0.0324
Brugia malayi RNA recognition motif domain containing protein 0.0052 0.0904 0.1896
Onchocerca volvulus 0.0091 0.2074 0.3916
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0032 0.0315 0.0471
Loa Loa (eye worm) hypothetical protein 0.0133 0.3359 0.7528
Brugia malayi Proteasome A-type and B-type family protein 0.005 0.086 0.1794
Trichomonas vaginalis ap endonuclease, putative 0.0046 0.0739 0.1303
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0031 0.0268 0.0378
Schistosoma mansoni tar DNA-binding protein 0.0052 0.0904 0.1235
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0052 0.0904 0.2026
Loa Loa (eye worm) hypothetical protein 0.0024 0.0081 0.0182
Plasmodium vivax unspecified product 0.0048 0.0803 0.3642
Schistosoma mansoni hypothetical protein 0.0247 0.6786 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0031 0.0268 0.0963
Leishmania major DNA polymerase eta, putative 0.0032 0.0315 0.0625
Loa Loa (eye worm) hypothetical protein 0.0044 0.0688 0.1541
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0354 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0091 0.2074 0.3924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0803 0.3642
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0046 0.0739 0.1656
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0076 0.1636 0.3563
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Echinococcus granulosus neutral alpha glucosidase AB 0.0031 0.0268 0.0268
Toxoplasma gondii cathepsin B 0.0055 0.0995 0.4602
Mycobacterium tuberculosis Putative ferredoxin reductase 0.007 0.1468 0.8342
Echinococcus multilocularis lamin dm0 0.0045 0.07 0.07
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0048 0.0803 0.1607
Trichomonas vaginalis maltase-glucoamylase, putative 0.0031 0.0268 0.0378
Schistosoma mansoni lamin 0.0045 0.07 0.093
Schistosoma mansoni cathepsin s 0.0029 0.0214 0.0206
Mycobacterium tuberculosis Probable oxidoreductase 0.0078 0.1705 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.007 0.1468 0.8342
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0029 0.0214 0.0479
Loa Loa (eye worm) hypothetical protein 0.0091 0.2074 0.4648
Trypanosoma cruzi cysteine peptidase, putative 0.0174 0.4604 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0051 0.0894 0.189
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.007 0.1468 0.8342
Mycobacterium tuberculosis Probable dehydrogenase 0.007 0.1468 0.8342
Entamoeba histolytica cysteine proteinase 1, putative 0.0048 0.0803 0.3642
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0031 0.0268 0.0963
Leishmania major proteasome beta 2 subunit, putative 0.0024 0.0075 0.0102
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Toxoplasma gondii cathepsin CPL 0.0091 0.2074 1
Echinococcus multilocularis dna polymerase kappa 0.0032 0.0315 0.0315
Toxoplasma gondii proteasome subunit beta type, putative 0.005 0.086 0.3924
Echinococcus multilocularis SAM and MBT domain containing protein 0.0039 0.0525 0.0525
Schistosoma mansoni hypothetical protein 0.0143 0.3662 0.5345
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0046 0.0739 0.1465
Brugia malayi cathepsin B-like cysteine proteinase 0.0133 0.3359 0.7487
Schistosoma mansoni tar DNA-binding protein 0.0052 0.0904 0.1235
Schistosoma mansoni intermediate filament proteins 0.0045 0.07 0.093
Trypanosoma cruzi cysteine peptidase, putative 0.0174 0.4604 1
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Plasmodium vivax vivapain-2 0.0091 0.2074 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Echinococcus granulosus cathepsin l1 0.0091 0.2074 0.2074
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0055 0.0995 0.1806
Trypanosoma cruzi cysteine proteinase, putative 0.0048 0.0803 0.1607
Loa Loa (eye worm) MBCTL1 0.0044 0.0688 0.1541
Brugia malayi RNA binding protein 0.0052 0.0904 0.1896
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0091 0.2074 0.2074
Brugia malayi Thioredoxin reductase 0.0031 0.0277 0.0467
Onchocerca volvulus 0.0039 0.0525 0.0872
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0803 0.3642
Brugia malayi Cathepsin L-like precursor 0.0091 0.2074 0.4561
Entamoeba histolytica cysteine proteinase 2 0.0048 0.0803 0.3642
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.005 0.086 0.1732
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0024 0.0075 0.0075
Echinococcus granulosus histone acetyltransferase MYST2 0.0044 0.0688 0.0688
Brugia malayi ImpB/MucB/SamB family protein 0.0032 0.0315 0.0554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0076 0.1636 0.2326
Echinococcus granulosus lamin 0.0045 0.07 0.07
Echinococcus multilocularis cathepsin L cysteine protease 0.0091 0.2074 0.2074
Brugia malayi glutathione reductase 0.0031 0.0277 0.0467
Brugia malayi Cathepsin L-like cysteine proteinase 0.0062 0.1208 0.2587
Echinococcus granulosus cathepsin L 0.0048 0.0803 0.0803
Onchocerca volvulus 0.0045 0.07 0.1215
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0091 0.2074 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.005 0.086 0.1169
Plasmodium falciparum glutathione reductase 0.0031 0.0277 0.1009
Brugia malayi Cathepsin L-like precursor 0.0091 0.2074 0.4561
Onchocerca volvulus 0.008 0.1747 0.3273
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Brugia malayi Cathepsin L-like precursor 0.0062 0.1208 0.2587
Loa Loa (eye worm) hypothetical protein 0.0029 0.0214 0.0479
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0046 0.0739 0.332
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0024 0.0072 0.0161
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Echinococcus multilocularis musashi 0.0045 0.07 0.07
Echinococcus granulosus lysosomal alpha glucosidase 0.0138 0.3496 0.3496
Echinococcus multilocularis lysosomal alpha glucosidase 0.0138 0.3496 0.3496
Onchocerca volvulus 0.0091 0.2074 0.3916
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.005 0.086 0.3924
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0046 0.0739 0.1552
Trypanosoma brucei DNA polymerase IV, putative 0.0032 0.0315 0.0654
Echinococcus multilocularis cathepsin L 0.0048 0.0803 0.0803
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0995 0.1371
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0081 0.0081
Echinococcus multilocularis cathepsin b 0.0133 0.3359 0.3359
Brugia malayi Papain family cysteine protease containing protein 0.0091 0.2074 0.4561
Trypanosoma cruzi cysteine peptidase, putative 0.0174 0.4604 1
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Mycobacterium tuberculosis Probable reductase 0.007 0.1468 0.8342
Trichomonas vaginalis sucrase-isomaltase, putative 0.0031 0.0268 0.0378
Brugia malayi Cathepsin L-like precursor 0.0091 0.2074 0.4561
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0091 0.2074 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0044 0.0688 0.0913
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Loa Loa (eye worm) TAR-binding protein 0.0052 0.0904 0.2026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Onchocerca volvulus 0.0062 0.1208 0.2214
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0076 0.1636 0.2326
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0039 0.0522 0.2236
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.0315 0.0529
Brugia malayi intermediate filament protein 0.0045 0.07 0.143
Loa Loa (eye worm) hypothetical protein 0.0062 0.1208 0.2707
Leishmania major cathepsin L-like protease 0.0174 0.4604 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0076 0.1636 0.3667
Loa Loa (eye worm) thioredoxin reductase 0.0031 0.0277 0.0621
Onchocerca volvulus Cathepsin L homolog 0.0091 0.2074 0.3916
Echinococcus granulosus polycomb protein SCMH1 0.0039 0.0525 0.0525
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0268 0.0378
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Schistosoma mansoni aldehyde dehydrogenase 0.0051 0.0894 0.1219
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.0803 0.1085
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0055 0.0995 0.2031
Leishmania major cathepsin L-like protease 0.0174 0.4604 1
Loa Loa (eye worm) RNA binding protein 0.0052 0.0904 0.2026
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0048 0.0803 0.1718
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0032 0.0315 0.0315
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0803 0.3642
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0051 0.0894 0.0894
Brugia malayi Pre-SET motif family protein 0.0024 0.0081 0.0021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.005 0.086 0.4081
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Loa Loa (eye worm) proteasome subunit beta type 1 0.0039 0.0522 0.117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0803 0.1429
Echinococcus granulosus dna polymerase eta 0.0032 0.0315 0.0315
Toxoplasma gondii exonuclease III APE 0.0046 0.0739 0.332
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0076 0.1636 0.1636
Echinococcus granulosus thioredoxin glutathione reductase 0.0031 0.0289 0.0289
Giardia lamblia Cathepsin B precursor 0.0055 0.0995 1
Schistosoma mansoni alpha-glucosidase 0.0119 0.2918 0.4237
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0803 0.1607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Plasmodium vivax vivapain-2 0.0091 0.2074 1
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0268 0.0425
Plasmodium vivax proteasome subunit beta type-1, putative 0.0039 0.0522 0.2236
Onchocerca volvulus 0.0091 0.2074 0.3916
Echinococcus granulosus sodium channel protein 0.0023 0.0029 0.0029
Trypanosoma brucei DNA polymerase IV, putative 0.0032 0.0315 0.0654
Echinococcus granulosus cathepsin L cysteine protease 0.0048 0.0803 0.0803
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0029 0.0214 0.0324
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.007 0.1468 0.8342
Echinococcus multilocularis geminin 0.0143 0.3662 0.3662
Leishmania major cathepsin L-like protease 0.0091 0.2074 0.447
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0031 0.0268 0.0963
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Brugia malayi mbt repeat family protein 0.0039 0.0525 0.1032
Trypanosoma brucei unspecified product 0.0032 0.0315 0.0654
Leishmania major cathepsin L-like protease 0.0174 0.4604 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0045 0.07 0.1568
Echinococcus multilocularis polycomb protein SCMH1 0.0039 0.0525 0.0525
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0146 0.3738 0.8087
Onchocerca volvulus 0.0091 0.2074 0.3916
Echinococcus granulosus dna polymerase kappa 0.0032 0.0315 0.0315
Echinococcus granulosus proteasome prosome macropain 0.005 0.086 0.086
Schistosoma mansoni sex comb on midleg homolog 0.0039 0.0525 0.067
Brugia malayi Glycosyl hydrolases family 31 protein 0.0031 0.0268 0.0447
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0048 0.0803 0.1718
Trypanosoma cruzi DNA polymerase kappa, putative 0.0032 0.0315 0.0529
Echinococcus granulosus intermediate filament protein 0.0045 0.07 0.07
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0031 0.0268 0.06
Plasmodium vivax glutathione reductase, putative 0.0031 0.0277 0.1009
Trypanosoma cruzi cysteine proteinase, putative 0.0048 0.0803 0.1607
Trypanosoma brucei DNA polymerase eta, putative 0.0032 0.0315 0.0654
Echinococcus multilocularis lysosomal alpha glucosidase 0.0138 0.3496 0.3496
Loa Loa (eye worm) ctsf protein 0.0091 0.2074 0.4648
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0032 0.0315 0.0357
Brugia malayi Cathepsin L-like precursor 0.0062 0.1208 0.2587
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0078 0.1705 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.005 0.086 0.8525
Loa Loa (eye worm) glutathione reductase 0.0031 0.0277 0.0621
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0039 0.0522 0.0987
Brugia malayi proteasome subunit beta type 2 0.0024 0.0075 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0051 0.0894 0.1219
Trypanosoma cruzi cruzipain precursor, putative 0.0174 0.4604 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0104 0.2467 0.5281
Onchocerca volvulus 0.0091 0.2074 0.3916
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0039 0.0522 0.0877
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Mycobacterium ulcerans aldehyde dehydrogenase 0.0051 0.0894 1
Toxoplasma gondii aldehyde dehydrogenase 0.0051 0.0894 0.4093
Schistosoma mansoni DNA polymerase eta 0.0032 0.0315 0.0357
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1208 0.2223
Plasmodium falciparum cysteine proteinase falcipain 1 0.0048 0.0803 0.3642
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Echinococcus multilocularis neutral alpha glucosidase AB 0.0031 0.0268 0.0268
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Schistosoma mansoni hypothetical protein 0.0143 0.3662 0.5345
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0046 0.0739 0.1465
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0024 0.0075 0.0132
Echinococcus granulosus SAM and MBT domain containing protein 0.0039 0.0525 0.0525
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0315 0.0529
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0031 0.0268 0.0378
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0091 0.2074 0.3924
Schistosoma mansoni tar DNA-binding protein 0.0052 0.0904 0.1235
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0044 0.0688 0.0688
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0803 0.3642
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0706
Onchocerca volvulus 0.0091 0.2074 0.3916
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.005 0.086 0.086
Brugia malayi Pre-SET motif family protein 0.017 0.4462 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0051 0.0894 0.4318
Loa Loa (eye worm) hypothetical protein 0.0045 0.07 0.1568
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.007 0.1468 0.72
Plasmodium vivax vivapain-3 0.0048 0.0803 0.3642
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Brugia malayi mbt repeat family protein 0.0039 0.0525 0.1032
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0081 0.0008
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0024 0.0075 0.0075
Trichomonas vaginalis set domain proteins, putative 0.0193 0.5169 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0076 0.1636 0.1636
Brugia malayi exodeoxyribonuclease III family protein 0.0046 0.0739 0.152
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0023 0.0029 0.0029
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0039 0.0522 0.1078
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0268 0.0378
Leishmania major cathepsin L-like protease 0.0091 0.2074 0.447
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Loa Loa (eye worm) mbt repeat family protein 0.0039 0.0525 0.1176
Trypanosoma cruzi cysteine peptidase, putative 0.0091 0.2074 0.4413
Echinococcus multilocularis tar DNA binding protein 0.0052 0.0904 0.0904
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0135 0.3418 0.3418
Schistosoma mansoni cathepsin F (C01 family) 0.0091 0.2074 0.2979
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0163 0.4268 0.4268
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0133 0.3359 0.725
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0046 0.0739 0.1578
Brugia malayi TAR-binding protein 0.0052 0.0904 0.1896
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0051 0.0894 0.0894
Schistosoma mansoni cathepsin F (C01 family) 0.0091 0.2074 0.2979
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.3359 0.4894
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0046 0.0739 0.332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0039 0.0522 0.2236
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0039 0.0522 0.0666
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0039 0.0522 0.0522
Loa Loa (eye worm) cysteine protease 0.0091 0.2074 0.4648
Loa Loa (eye worm) hypothetical protein 0.0062 0.1208 0.2707
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Trichomonas vaginalis ap endonuclease, putative 0.0046 0.0739 0.1303
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0081 0.0008
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0044 0.0688 0.0688
Leishmania major cathepsin L-like protease 0.0091 0.2074 0.447
Schistosoma mansoni sex comb on midleg homolog 0.0039 0.0525 0.067
Giardia lamblia Cathepsin B precursor 0.0055 0.0995 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0046 0.0739 0.3235
Trypanosoma brucei DNA polymerase IV, putative 0.0032 0.0315 0.0654
Echinococcus granulosus nuclear factor of activated T cells 5 0.0135 0.3418 0.3418
Loa Loa (eye worm) cathepsin B 0.0055 0.0995 0.2231
Plasmodium vivax SET domain protein, putative 0.0024 0.0081 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1208 0.2223
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0055 0.0995 0.2112
Onchocerca volvulus Cathepsin F homolog 0.0091 0.2074 0.3916
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0039 0.0522 0.0522
Onchocerca volvulus 0.0045 0.07 0.1215
Giardia lamblia Cathepsin B precursor 0.0055 0.0995 1
Entamoeba histolytica cysteine proteinase, putative 0.0062 0.1208 0.5665
Mycobacterium ulcerans aldehyde dehydrogenase 0.0051 0.0894 1
Mycobacterium ulcerans proteasome PrcB 0.005 0.086 0.9415
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0046 0.0739 0.7328
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0024 0.0081 0.0028
Echinococcus granulosus tar DNA binding protein 0.0052 0.0904 0.0904
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0268 0.0378
Loa Loa (eye worm) hypothetical protein 0.0029 0.0214 0.0479
Trypanosoma brucei proteasome beta 6 subunit 0.0039 0.0522 0.1106
Schistosoma mansoni tar DNA-binding protein 0.0052 0.0904 0.1235
Trypanosoma brucei glucosidase, putative 0.0031 0.0268 0.0552
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0081 0.0008
Loa Loa (eye worm) proteasome subunit beta type 2 0.0024 0.0075 0.0169
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0078 0.1705 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0091 0.2074 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0091 0.2074 0.3924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0076 0.1636 0.1636
Loa Loa (eye worm) fibroinase 0.0091 0.2074 0.4648
Schistosoma mansoni alpha-glucosidase 0.0119 0.2918 0.4237
Echinococcus granulosus cathepsin b 0.0133 0.3359 0.3359
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0163 0.4268 0.4268
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.0803 0.1085
Schistosoma mansoni ap endonuclease 0.0046 0.0739 0.0989
Onchocerca volvulus Cathepsin L homolog 0.0091 0.2074 0.3916
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0268 0.0378
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0174 0.4604 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0091 0.2074 0.2074
Toxoplasma gondii thioredoxin reductase 0.0031 0.0277 0.1009
Echinococcus multilocularis sodium channel protein 0.0023 0.0029 0.0029
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.0803 0.1085
Echinococcus granulosus cathepsin l1 0.0062 0.1208 0.1208
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0046 0.0739 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0032 0.0315 0.0471
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0277 0.0445
Leishmania major alpha glucosidase II subunit, putative 0.0031 0.0268 0.0522
Loa Loa (eye worm) hypothetical protein 0.0044 0.0675 0.1513
Leishmania major DNA polymerase kappa, putative 0.0032 0.0315 0.0625
Giardia lamblia DINP protein human, muc B family 0.0032 0.0315 0.2606
Giardia lamblia Proteasome subunit beta type 1 0.0039 0.0522 0.4858
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.017 0.4462 1
Schistosoma mansoni cathepsin F (C01 family) 0.0062 0.1208 0.1688
Echinococcus multilocularis thioredoxin glutathione reductase 0.0031 0.0289 0.0289
Trypanosoma brucei trypanothione reductase 0.0031 0.0277 0.0571
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0076 0.1636 0.1636
Plasmodium vivax thioredoxin reductase, putative 0.0031 0.0277 0.1009
Loa Loa (eye worm) hypothetical protein 0.0029 0.0214 0.0479
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0091 0.2074 0.3924
Plasmodium falciparum proteasome subunit beta type-5 0.005 0.086 0.3924
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0032 0.0315 0.0315
Echinococcus multilocularis dna polymerase eta 0.0032 0.0315 0.0315
Brugia malayi cathepsin F-like cysteine proteinase 0.0029 0.0214 0.0324
Entamoeba histolytica cysteine protease, putative 0.0091 0.2074 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0032 0.0315 0.0357
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0054 0.0054
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0138 0.3496 0.7834
Entamoeba histolytica cysteine protease, putative 0.0048 0.0803 0.3642
Brugia malayi proteasome subunit beta type 1 0.0039 0.0522 0.1026
Schistosoma mansoni alpha glucosidase 0.0031 0.0268 0.0287
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0032 0.0315 0.0267
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0081 0.0081
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0032 0.0315 0.0625
Entamoeba histolytica deoxycytidyl transferase, putative 0.0032 0.0315 0.1199
Onchocerca volvulus 0.0193 0.5171 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0091 0.2074 0.2074
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.0315 0.0267
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0315 0.0654
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0081 0.0081
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0268 0.0425
Brugia malayi cathepsin L-like precursor 0.0062 0.1208 0.2587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0076 0.1636 0.2326
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.3359 0.4894
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0039 0.0522 0.2236
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0039 0.0525 0.0872
Plasmodium falciparum thioredoxin reductase 0.0031 0.0277 0.1009
Echinococcus multilocularis cathepsin L cysteine protease 0.0091 0.2074 0.2074
Echinococcus multilocularis cysteine protease 0.0091 0.2074 0.2074
Trypanosoma cruzi cysteine peptidase, putative 0.0029 0.0214 0.0306
Brugia malayi Cathepsin L-like precursor 0.0091 0.2074 0.4561
Trypanosoma cruzi cruzipain precursor, putative 0.0029 0.0214 0.0306
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.005 0.086 0.1732
Plasmodium vivax proteasome subunit beta type-5, putative 0.005 0.086 0.3924
Brugia malayi Intermediate filament tail domain containing protein 0.0045 0.07 0.143
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0133 0.3359 0.4894
Echinococcus granulosus lamin dm0 0.0045 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0039 0.0525 0.1176
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0044 0.0688 0.1403
Leishmania major trypanothione reductase 0.0031 0.0277 0.0542
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0803 0.1429
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0039 0.0522 0.0987
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0046 0.0739 0.0739
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0046 0.0739 0.7213
Trypanosoma brucei proteasome subunit beta type-5, putative 0.005 0.086 0.1841
Brugia malayi ImpB/MucB/SamB family protein 0.0032 0.0315 0.0554
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.0803 0.1666
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.005 0.086 0.154
Plasmodium vivax unspecified product 0.0029 0.0214 0.0693

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 59 % Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride at 1 uM after 10 mins by scintillation counting ChEMBL. 22683241

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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