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

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

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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