Detailed information for compound 334012

Basic information

Technical information
  • TDR Targets ID: 334012
  • Name: 5-(2-ethylphenyl)sulfanyl-6-hydroxy-2-pheneth yl-2-propyl-3H-pyran-4-one
  • MW: 396.542 | Formula: C24H28O3S
  • H donors: 1 H acceptors: 2 LogP: 6.34 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1(CCc2ccccc2)CC(=O)C(=C(O1)O)Sc1ccccc1CC
  • InChi: 1S/C24H28O3S/c1-3-15-24(16-14-18-10-6-5-7-11-18)17-20(25)22(23(26)27-24)28-21-13-9-8-12-19(21)4-2/h5-13,26H,3-4,14-17H2,1-2H3
  • InChiKey: OSPUKRQVTIZOFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(2-ethylphenyl)thio]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one
  • 5-(2-ethylphenyl)sulfanyl-6-hydroxy-2-(2-phenylethyl)-2-propyl-3H-pyran-4-one
  • 5-[(2-ethylphenyl)thio]-6-hydroxy-2-(2-phenylethyl)-2-propyl-3H-pyran-4-one
  • 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-6-(2-phenylethyl)-3-[(2-ethylphenyl)thio]-6-propyl-
  • AIDS-314043
  • AIDS314043

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
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0071 0.0453 0.1147
Echinococcus granulosus calpain 0.0084 0.0576 0.0559
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0075 0.0489 0.0487
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Trypanosoma cruzi cysteine proteinase, putative 0.0146 0.1203 0.1141
Onchocerca volvulus 0.0066 0.0403 0.1647
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.007 0.0181
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0366 0.3405 1
Entamoeba histolytica cysteine protease, putative 0.0071 0.0453 0.0649
Echinococcus multilocularis cathepsin b 0.1024 1 1
Echinococcus multilocularis cathepsin b 0.1024 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0071 0.0453 0.0425
Plasmodium vivax serine-repeat antigen (SERA) 0.0071 0.0453 0.1863
Schistosoma mansoni Mername-AA248 (C02 family) 0.0084 0.0576 0.0549
Leishmania major cathepsin L-like protease 0.0256 0.2304 0.6112
Onchocerca volvulus Dual oxidase homolog 0.0066 0.0403 0.1647
Onchocerca volvulus 0.0066 0.0403 0.1647
Brugia malayi Animal haem peroxidase family protein 0.0066 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0071 0.0453 0.0451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0146 0.1203 0.31
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0071 0.0453 0.0425
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0685 0.0669
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.0453 0.1147
Plasmodium vivax calpain, putative 0.0084 0.0576 0.2405
Loa Loa (eye worm) hypothetical protein 0.0743 0.7184 0.7183
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0256 0.2304 1
Echinococcus multilocularis microtubule associated protein 2 0.0684 0.6597 0.6597
Onchocerca volvulus 0.0256 0.2304 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0071 0.0453 0.1147
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0078 0.0524 0.0507
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Schistosoma mansoni pyruvate kinase 0.0033 0.007 0.0041
Entamoeba histolytica cysteine protease, putative 0.0256 0.2304 1
Echinococcus granulosus cathepsin L cysteine protease 0.0146 0.1203 0.1187
Plasmodium falciparum serine repeat antigen 4 0.0071 0.0453 0.1713
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0743 0.7184 0.7184
Brugia malayi Pre-SET motif family protein 0.0029 0.0029 0.0027
Loa Loa (eye worm) calpain 5 0.0058 0.0324 0.0323
Trichomonas vaginalis set domain proteins, putative 0.023 0.2042 0.5912
Echinococcus multilocularis calpain 0.0084 0.0576 0.0576
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0366 0.3405 0.9126
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0256 0.2304 0.2304
Echinococcus granulosus calpain A 0.0239 0.2129 0.2115
Brugia malayi Cathepsin L-like precursor 0.0256 0.2304 0.2303
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.0403 0.0402
Leishmania major cathepsin L-like protease 0.0256 0.2304 0.6112
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0071 0.0453 0.1147
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0071 0.0453 0.1147
Schistosoma mansoni hypothetical protein 0.0168 0.1422 0.1398
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Giardia lamblia Cathepsin L precursor 0.0071 0.0453 0.1147
Loa Loa (eye worm) hypothetical protein 0.0029 0.0029 0.0027
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0071 0.0453 0.0425
Loa Loa (eye worm) blistered cuticle protein 3 0.0066 0.0403 0.0402
Echinococcus multilocularis cysteine protease 0.0256 0.2304 0.2304
Echinococcus multilocularis pyruvate kinase 0.0033 0.007 0.007
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.007 0.0068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0685 0.0685
Plasmodium vivax unspecified product 0.0071 0.0453 0.1863
Trypanosoma cruzi major cysteine proteinase, putative 0.0071 0.0453 0.0385
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1203 0.1178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0685 0.0659
Echinococcus granulosus tar DNA binding protein 0.0069 0.0432 0.0415
Plasmodium falciparum cysteine proteinase falcipain 3 0.0256 0.2304 1
Plasmodium falciparum serine repeat antigen 7 0.0071 0.0453 0.1713
Schistosoma mansoni cathepsin s 0.0075 0.0489 0.0462
Giardia lamblia Cysteine protease 0.0071 0.0453 0.1147
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0071 0.0453 0.1147
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Toxoplasma gondii cathepsin B 0.0366 0.3405 1
Echinococcus multilocularis calpain 5 0.0084 0.0576 0.0576
Onchocerca volvulus Cathepsin L homolog 0.0071 0.0453 0.1863
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0071 0.0453 0.1147
Plasmodium falciparum serine repeat antigen 5 0.0071 0.0453 0.1713
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0071 0.0453 0.0425
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1024 1 1
Plasmodium vivax vivapain-3 0.0146 0.1203 0.5162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0071 0.0453 0.1863
Brugia malayi Cathepsin L-like precursor 0.0256 0.2304 0.2303
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0489 0.0422
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0071 0.0453 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.0453 0.1147
Entamoeba histolytica cysteine proteinase, putative 0.0256 0.2304 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.1707 0.1705
Onchocerca volvulus 0.0256 0.2304 1
Leishmania major cysteine peptidase A (CPA) 0.0256 0.2304 0.6112
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0029 0.0011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Brugia malayi MH2 domain containing protein 0.0118 0.0924 0.0923
Schistosoma mansoni hypothetical protein 0.0031 0.0045 0.0016
Schistosoma mansoni peroxidasin 0.0066 0.0403 0.0376
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0803 0.7792 0.7792
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0071 0.0453 0.1863
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0366 0.3405 0.3386
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0071 0.0453 0.1863
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0071 0.0453 0.1713
Echinococcus multilocularis pyruvate kinase 0.0033 0.007 0.007
Giardia lamblia Cathepsin L-like protease 0.0071 0.0453 0.1147
Brugia malayi Papain family cysteine protease containing protein 0.0071 0.0453 0.0451
Onchocerca volvulus 0.0256 0.2304 1
Plasmodium vivax vivapain-1 0.0146 0.1203 0.5162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Plasmodium vivax pyruvate kinase, putative 0.0033 0.007 0.0181
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0247 0.0245
Chlamydia trachomatis pyruvate kinase 0.0033 0.007 0.5
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0432 0.0405
Giardia lamblia Cathepsin B precursor 0.0071 0.0453 0.1147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.0453 0.1147
Plasmodium vivax vivapain-2 0.0256 0.2304 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.007 1
Echinococcus granulosus peroxidasin 0.0066 0.0403 0.0386
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.223 0.223
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0432 0.0432
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1203 0.444
Entamoeba histolytica cysteine proteinase 2 0.0146 0.1203 0.444
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0256 0.2304 0.2303
Brugia malayi RNA binding protein 0.0069 0.0432 0.0431
Loa Loa (eye worm) cathepsin B 0.0366 0.3405 0.3404
Echinococcus granulosus cathepsin b 0.1024 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0181 0.1553 0.4447
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0685 0.0685
Onchocerca volvulus 0.0138 0.1121 0.4801
Giardia lamblia Cathepsin B precursor 0.0366 0.3405 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0071 0.0453 0.0649
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0432 0.0431
Echinococcus multilocularis cathepsin L cysteine protease 0.0256 0.2304 0.2304
Echinococcus multilocularis calpain A 0.0239 0.2129 0.2129
Leishmania major cathepsin L-like protease 0.0398 0.3725 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.1384
Echinococcus granulosus pyruvate kinase 0.0033 0.007 0.0052
Echinococcus granulosus calpain 7 C02 family 0.0084 0.0576 0.0559
Onchocerca volvulus 0.0256 0.2304 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0071 0.0453 0.1147
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0071 0.0453 0.0451
Brugia malayi Papain family cysteine protease containing protein 0.0146 0.1203 0.1202
Brugia malayi Pre-SET motif family protein 0.0202 0.1762 0.1761
Giardia lamblia Cathepsin L-like protease 0.0071 0.0453 0.1147
Trypanosoma brucei antigen, putative 0.0084 0.0576 0.1384
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0084 0.0576 0.0509
Echinococcus granulosus calpain A 0.0084 0.0576 0.0559
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0029 0.0029
Brugia malayi cathepsin Z-like cysteine proteinase 0.0071 0.0453 0.0451
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0238 0.2125 0.2102
Echinococcus granulosus pyruvate kinase 0.0033 0.007 0.0052
Echinococcus granulosus cathepsin L 0.0071 0.0453 0.0435
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0924 0.0923
Loa Loa (eye worm) matrixin family protein 0.0052 0.0261 0.0259
Brugia malayi hypothetical protein 0.0249 0.223 0.2229
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0029 0.0029
Onchocerca volvulus 0.0256 0.2304 1
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0453 0.1147
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Brugia malayi Cathepsin L-like precursor 0.0075 0.0489 0.0487
Brugia malayi Papain family cysteine protease containing protein 0.0071 0.0453 0.0451
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0084 0.0576 0.0509
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0075 0.0489 0.0487
Loa Loa (eye worm) hypothetical protein 0.0075 0.0489 0.0487
Loa Loa (eye worm) hypothetical protein 0.1024 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0366 0.3405 0.3359
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Giardia lamblia Cathepsin B precursor 0.0071 0.0453 0.1147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0685 0.0659
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0238 0.2125 0.2102
Loa Loa (eye worm) hypothetical protein 0.0071 0.0453 0.0451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0453 0.0451
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0071 0.0453 0.1863
Onchocerca volvulus Matrix metalloproteinase homolog 0.0048 0.0217 0.083
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0146 0.1203 0.3397
Echinococcus granulosus geminin 0.0168 0.1422 0.1407
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0084 0.0576 0.0509
Echinococcus multilocularis peroxidasin 0.0066 0.0403 0.0403
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.007 0.0181
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.007 0.0122
Echinococcus multilocularis hypothetical protein 0.0084 0.0576 0.0576
Onchocerca volvulus 0.0031 0.0045 0.007
Onchocerca volvulus 0.0256 0.2304 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0146 0.1203 0.31
Toxoplasma gondii cathepsin CPL 0.0256 0.2304 0.6738
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0084 0.0576 0.0509
Loa Loa (eye worm) pyruvate kinase 0.0033 0.007 0.0068
Brugia malayi calpain family protein 1 0.0221 0.1958 0.1957
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Schistosoma mansoni peptidylglycine monooxygenase 0.0395 0.3693 0.3675
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Loa Loa (eye worm) pyruvate kinase 0.0033 0.007 0.0068
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0071 0.0453 0.0425
Trypanosoma cruzi cysteine peptidase, putative 0.0398 0.3725 0.3681
Trypanosoma cruzi cysteine peptidase, putative 0.0146 0.1203 0.1141
Echinococcus granulosus calpain 5 0.0084 0.0576 0.0559
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Brugia malayi Blistered cuticle protein 3 0.0066 0.0403 0.0402
Trypanosoma cruzi cysteine protease, putative 0.0146 0.1203 0.1141
Giardia lamblia Cathepsin L precursor 0.0071 0.0453 0.1147
Schistosoma mansoni calpain-7 (C02 family) 0.0084 0.0576 0.0549
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0084 0.0576 0.0509
Schistosoma mansoni cathepsin F (C01 family) 0.0181 0.1553 0.1529
Leishmania major cathepsin L-like protease 0.0256 0.2304 0.6112
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0071 0.0453 0.0451
Leishmania major cathepsin L-like protease 0.0256 0.2304 0.6112
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1024 1 1
Echinococcus granulosus microtubule associated protein 2 0.0684 0.6597 0.6591
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0146 0.1203 0.3397
Brugia malayi calpain 5 0.0058 0.0324 0.0323
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0256 0.2304 0.2304
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1203 0.1178
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Giardia lamblia Cathepsin B precursor 0.0071 0.0453 0.1147
Loa Loa (eye worm) calpain family protein 1 0.0163 0.1373 0.1371
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0071 0.0453 0.1147
Brugia malayi cathepsin Z-like cysteine proteinase 0.0071 0.0453 0.0451
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.0509
Loa Loa (eye worm) hypothetical protein 0.0138 0.1121 0.112
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0395 0.3693 0.3692
Entamoeba histolytica cysteine protease, putative 0.0071 0.0453 0.0649
Plasmodium falciparum serine repeat antigen 6 0.0071 0.0453 0.1713
Entamoeba histolytica cysteine proteinase 1, putative 0.0146 0.1203 0.444
Loa Loa (eye worm) cysteine protease 0.0256 0.2304 0.2303
Echinococcus multilocularis cathepsin L 0.0146 0.1203 0.1203
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Onchocerca volvulus Chorion peroxidase homolog 0.0066 0.0403 0.1647
Giardia lamblia Cysteine protease 0.0071 0.0453 0.1147
Schistosoma mansoni dopamine-beta-monooxygenase 0.0395 0.3693 0.3675
Schistosoma mansoni survival motor neuron protein 0.0051 0.0247 0.0219
Trypanosoma cruzi cysteine peptidase, putative 0.0398 0.3725 0.3681
Onchocerca volvulus Cathepsin F homolog 0.0256 0.2304 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.0453 0.1147
Giardia lamblia Encystation-specific protease 0.0071 0.0453 0.1147
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0071 0.0453 0.1863
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0238 0.2125 0.2125
Schistosoma mansoni pyruvate kinase 0.0033 0.007 0.0041
Plasmodium vivax unspecified product 0.0075 0.0489 0.2023
Loa Loa (eye worm) hypothetical protein 0.0256 0.2304 0.2303
Brugia malayi cathepsin F-like cysteine proteinase 0.0075 0.0489 0.0487
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0432 0.0405
Entamoeba histolytica cysteine proteinase, putative 0.0256 0.2304 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0743 0.7184 0.7183
Giardia lamblia Hypothetical protein 0.0071 0.0453 0.1147
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Echinococcus granulosus cathepsin l1 0.0256 0.2304 0.229
Toxoplasma gondii preprocathepsin c precursor, putative 0.0071 0.0453 0.1255
Plasmodium vivax vivapain-2 0.0256 0.2304 1
Brugia malayi Papain family cysteine protease containing protein 0.0256 0.2304 0.2303
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0685 0.0659
Loa Loa (eye worm) fibroinase 0.0256 0.2304 0.2303
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0071 0.0453 0.0451
Trypanosoma cruzi cysteine peptidase, putative 0.0256 0.2304 0.225
Leishmania major cathepsin L-like protease 0.0398 0.3725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0256 0.2304 0.6697
Trypanosoma brucei cysteine peptidase C (CPC) 0.0366 0.3405 0.9126
Echinococcus granulosus cathepsin l cysteine peptidase 0.0256 0.2304 0.229
Brugia malayi Cathepsin L-like precursor 0.0256 0.2304 0.2303
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0071 0.0453 0.1713
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.007 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.0453 0.1147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0071 0.0453 0.1147
Loa Loa (eye worm) calpain 0.0084 0.0576 0.0574
Brugia malayi Cathepsin L-like precursor 0.0256 0.2304 0.2303
Loa Loa (eye worm) RNA binding protein 0.0069 0.0432 0.0431
Brugia malayi cathepsin L precursor 0.0071 0.0453 0.0451
Giardia lamblia Cathepsin L precursor 0.0071 0.0453 0.1147
Echinococcus granulosus cathepsin L 0.0146 0.1203 0.1187
Entamoeba histolytica cysteine protease, putative 0.0071 0.0453 0.0649
Giardia lamblia Hypothetical protein 0.0071 0.0453 0.1147
Trypanosoma brucei calpain-like protein, putative 0.0084 0.0576 0.1384
Onchocerca volvulus Matrilysin homolog 0.0048 0.0217 0.083
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0256 0.2304 0.2303
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0323 0.2974 0.2925
Onchocerca volvulus 0.0071 0.0453 0.1863
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.02 0.1745 0.1744
Schistosoma mansoni calpain C (C02 family) 0.0084 0.0576 0.0549
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1203 0.444
Brugia malayi hypothetical protein 0.0066 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0181 0.1553 0.1552
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Plasmodium falciparum serine repeat antigen 1 0.0071 0.0453 0.1713
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0071 0.0453 0.1147
Trypanosoma brucei calpain-like protein, putative 0.0084 0.0576 0.1384
Schistosoma mansoni cathepsin B (C01 family) 0.0071 0.0453 0.0425
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0084 0.0576 0.0509
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.1384
Giardia lamblia Cathepsin L precursor 0.0071 0.0453 0.1147
Onchocerca volvulus 0.0256 0.2304 1
Brugia malayi Animal haem peroxidase family protein 0.0066 0.0403 0.0402
Plasmodium falciparum serine repeat antigen 9 0.0071 0.0453 0.1713
Loa Loa (eye worm) hypothetical protein 0.0249 0.223 0.2229
Echinococcus granulosus cathepsin L cysteine proteinase 0.0256 0.2304 0.229
Loa Loa (eye worm) hypothetical protein 0.0163 0.1373 0.1371
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Schistosoma mansoni cathepsin C 0.0071 0.0453 0.0425
Brugia malayi Animal haem peroxidase family protein 0.0066 0.0403 0.0402
Echinococcus multilocularis calpain 7 (C02 family) 0.0084 0.0576 0.0576
Mycobacterium ulcerans pyruvate kinase 0.0033 0.007 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0432 0.0431
Brugia malayi Cathepsin L-like precursor 0.0181 0.1553 0.1552
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.1384
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0071 0.0453 0.1863
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.0509
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0256 0.2304 1
Onchocerca volvulus 0.0051 0.0247 0.0958
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1203 0.444
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.007 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0432 0.0405
Brugia malayi calpain 7 0.0084 0.0576 0.0574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0181 0.1553 0.4447
Echinococcus granulosus cathepsin l1 0.0181 0.1553 0.1538
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0071 0.0453 0.1147
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1024 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.0403 0.0402
Giardia lamblia Cathepsin B precursor 0.0071 0.0453 0.1147
Schistosoma mansoni cathepsin F (C01 family) 0.0256 0.2304 0.2282
Giardia lamblia Cathepsin L precursor 0.0071 0.0453 0.1147
Echinococcus granulosus cysteine protease 0.0146 0.1203 0.1187
Brugia malayi Cathepsin L-like precursor 0.0256 0.2304 0.2303
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0078 0.0524 0.0524
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.1384
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0432 0.0431
Loa Loa (eye worm) hypothetical protein 0.0033 0.007 0.0068
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.0509
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0071 0.0453 0.1863
Onchocerca volvulus Peroxidasin homolog 0.0066 0.0403 0.1647
Trypanosoma cruzi cysteine proteinase, putative 0.0146 0.1203 0.1141
Loa Loa (eye worm) calpain family protein 1 0.0221 0.1958 0.1957
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0743 0.7184 0.7176
Echinococcus multilocularis cathepsin L 0.0071 0.0453 0.0453
Brugia malayi fibroinase precursor 0.0071 0.0453 0.0451
Giardia lamblia Cathepsin L precursor 0.0071 0.0453 0.1147
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0453 0.1147
Entamoeba histolytica cysteine protease, putative 0.0071 0.0453 0.0649
Schistosoma mansoni hypothetical protein 0.0168 0.1422 0.1398
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Giardia lamblia Cysteine protease 0.0071 0.0453 0.1147
Echinococcus multilocularis cathepsin L cysteine protease 0.0256 0.2304 0.2304
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Loa Loa (eye worm) animal heme peroxidase 0.0066 0.0403 0.0402
Brugia malayi calpain family protein 1 0.0221 0.1958 0.1957
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Onchocerca volvulus Peroxidase homolog 0.0066 0.0403 0.1647
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Onchocerca volvulus 0.0181 0.1553 0.6701
Onchocerca volvulus Peroxidasin homolog 0.0066 0.0403 0.1647
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0071 0.0453 0.1147
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Echinococcus multilocularis cysteine protease 0.0256 0.2304 0.2304
Brugia malayi cathepsin F-like cysteine proteinase 0.0071 0.0453 0.0451
Entamoeba histolytica hypothetical protein 0.0071 0.0453 0.0649
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Echinococcus multilocularis calpain family protein 1, d 0.0163 0.1373 0.1373
Echinococcus multilocularis geminin 0.0168 0.1422 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0071 0.0453 0.1147
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Brugia malayi cathepsin L-like cysteine proteinase 0.0071 0.0453 0.0451
Loa Loa (eye worm) hypothetical protein 0.0181 0.1553 0.1552
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.223 0.2216
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0071 0.0453 0.0425
Giardia lamblia Cathepsin B precursor 0.0071 0.0453 0.1147
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0238 0.2125 0.211
Echinococcus granulosus cathepsin b 0.1024 1 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0432 0.0405
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Onchocerca volvulus Peroxidase homolog 0.0066 0.0403 0.1647
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1024 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0685 0.0669
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.007 0.0181
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0685 0.0684
Schistosoma mansoni cathepsin S (C01 family) 0.0071 0.0453 0.0425
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0071 0.0453 0.1863
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1024 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0453 0.0451
Brugia malayi Animal haem peroxidase family protein 0.0066 0.0403 0.0402
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Entamoeba histolytica cysteine proteinase, putative 0.0181 0.1553 0.6209
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0071 0.0453 0.1147
Trypanosoma cruzi kinesin, putative 0.0058 0.0324 0.0256
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Entamoeba histolytica cysteine protease, putative 0.0071 0.0453 0.0649
Leishmania major cathepsin L-like protease 0.0256 0.2304 0.6112
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0071 0.0453 0.1863
Loa Loa (eye worm) ctsf protein 0.0256 0.2304 0.2303
Schistosoma mansoni microtubule-associated protein tau 0.0684 0.6597 0.6587
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0071 0.0453 0.1147
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0084 0.0576 0.1384
Toxoplasma gondii cathepsin CPC1 0.0071 0.0453 0.1255
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0071 0.0453 0.0649
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0256 0.2304 0.6697
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0146 0.1203 0.1141
Schistosoma mansoni hypothetical protein 0.0051 0.0247 0.0219
Trypanosoma cruzi cysteine peptidase, putative 0.0398 0.3725 0.3681
Entamoeba histolytica cysteine protease, putative 0.0146 0.1203 0.444
Loa Loa (eye worm) hypothetical protein 0.0221 0.1958 0.1957
Schistosoma mansoni cathepsin F (C01 family) 0.0256 0.2304 0.2282
Trypanosoma brucei kinesin, putative 0.0058 0.0324 0.0695
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1203 0.1178
Onchocerca volvulus Cathepsin L homolog 0.0256 0.2304 1
Leishmania major cathepsin L-like protease 0.0398 0.3725 1
Onchocerca volvulus Cathepsin L homolog 0.0256 0.2304 1
Brugia malayi Papain family cysteine protease containing protein 0.0071 0.0453 0.0451
Plasmodium falciparum serine repeat antigen 3 0.0071 0.0453 0.1713
Toxoplasma gondii cathepsin CPC2 0.0071 0.0453 0.1255
Entamoeba histolytica cysteine protease, putative 0.0071 0.0453 0.0649
Plasmodium vivax unspecified product 0.0146 0.1203 0.5162
Brugia malayi cathepsin L-like precursor 0.0181 0.1553 0.1552
Plasmodium vivax serine-repeat antigen (SERA) 0.0071 0.0453 0.1863
Trypanosoma brucei calpain-like protein, putative 0.0084 0.0576 0.1384
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0071 0.0453 0.0425
Loa Loa (eye worm) hypothetical protein 0.0071 0.0453 0.0451
Brugia malayi Animal haem peroxidase family protein 0.0066 0.0403 0.0402
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0071 0.0453 0.0425
Loa Loa (eye worm) hypothetical protein 0.0395 0.3693 0.3692
Loa Loa (eye worm) hypothetical protein 0.0071 0.0453 0.0451
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0743 0.7184 0.7179
Brugia malayi Cathepsin L-like precursor 0.0181 0.1553 0.1552
Brugia malayi Papain family cysteine protease containing protein 0.0146 0.1203 0.1202
Trypanosoma brucei calpain-like protein, putative 0.0084 0.0576 0.1384
Trypanosoma cruzi cruzipain precursor, putative 0.0398 0.3725 0.3681
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0071 0.0453 0.1713
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0071 0.0453 0.1147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0075 0.0489 0.0487
Schistosoma mansoni calpain-7 (C02 family) 0.0084 0.0576 0.0549
Onchocerca volvulus 0.023 0.2042 0.8849
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0194 0.1686 0.1685
Brugia malayi TAR-binding protein 0.0069 0.0432 0.0431
Schistosoma mansoni peroxidasin 0.0066 0.0403 0.0376
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Leishmania major kinesin, putative 0.0058 0.0324 0.0695
Giardia lamblia Cathepsin B precursor 0.0366 0.3405 1
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.0489 0.0422
Brugia malayi Cathepsin L-like cysteine proteinase 0.0181 0.1553 0.1552
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0256 0.2304 0.6697
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0071 0.0453 0.1863
Plasmodium falciparum serine repeat antigen 2 0.0071 0.0453 0.1713
Trypanosoma cruzi kinesin, putative 0.0058 0.0324 0.0256
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0084 0.0576 0.0509
Giardia lamblia Cathepsin B precursor 0.0366 0.3405 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0398 0.3725 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0221 0.1958 0.1935
Loa Loa (eye worm) pyruvate kinase 0.0033 0.007 0.0068
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0402
Brugia malayi Matrixin family protein 0.0052 0.0261 0.0259
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0432 0.0405
Trypanosoma cruzi major cysteine proteinase, putative 0.0213 0.1874 0.1817
Schistosoma mansoni calpain (C02 family) 0.0084 0.0576 0.0549
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0685 0.0684
Giardia lamblia Cysteine protease 0.0071 0.0453 0.1147
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0256 0.2304 0.6697
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0071 0.0453 0.0425
Brugia malayi Hemopexin family protein 0.0031 0.0045 0.0043
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0924 0.0923
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1203 0.444
Loa Loa (eye worm) hypothetical protein 0.0075 0.0489 0.0487
Plasmodium falciparum serine repeat antigen 8 0.0071 0.0453 0.1713
Loa Loa (eye worm) hypothetical protein 0.0181 0.1553 0.1552
Plasmodium falciparum cysteine proteinase falcipain 1 0.0146 0.1203 0.5073
Onchocerca volvulus 0.0066 0.0403 0.1647
Loa Loa (eye worm) matrixin family protein 0.0048 0.0217 0.0216
Brugia malayi Peroxidasin 0.0066 0.0403 0.0402
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.1762 0.1761
Brugia malayi Cathepsin L-like precursor 0.0256 0.2304 0.2303

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.1 M Effective concentration required to protect CEM cells from Simian-Human immunodeficiency virus (SIV) infection ChEMBL. 15923115
EC50 (functional) = 4.1 uM Effective concentration required to protect CEM cells from Simian-Human immunodeficiency virus (SIV) infection ChEMBL. 15923115
TC50 (functional) > 100 M Toxic concentration (Cytotoxicity) of the compound in uninfected CEM cells ChEMBL. 15923115
TC50 (functional) > 100 M Toxic concentration (Cytotoxicity) of the compound in uninfected CEM cells ChEMBL. 15923115
TI (functional) > 24 Ratio of toxic concentration (TC50) to the effective concentration (EC50) of the compound (Therapeutic Index) in CEM cells ChEMBL. 15923115

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15923115

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.