Detailed information for compound 71399

Basic information

Technical information
  • TDR Targets ID: 71399
  • Name: ethyl (E)-6-[1-[(4-methoxyphenyl)methyl]pyrro l-2-yl]-2,4-dioxohex-5-enoate
  • MW: 355.384 | Formula: C20H21NO5
  • H donors: 0 H acceptors: 3 LogP: 2.64 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccc(cc1)OC
  • InChi: 1S/C20H21NO5/c1-3-26-20(24)19(23)13-17(22)9-8-16-5-4-12-21(16)14-15-6-10-18(25-2)11-7-15/h4-12H,3,13-14H2,1-2H3/b9-8+
  • InChiKey: QJMATYWDNXVPFU-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl (E)-6-[1-[(4-methoxyphenyl)methyl]pyrrol-2-yl]-2,4-dioxo-hex-5-enoate
  • (E)-6-[1-[(4-methoxyphenyl)methyl]-2-pyrrolyl]-2,4-dioxo-5-hexenoic acid ethyl ester
  • (E)-2,4-diketo-6-(1-p-anisylpyrrol-2-yl)hex-5-enoic acid ethyl ester
  • AIDS195746
  • 5-Hexenoic acid, 6-[1-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-2,4-dioxo-, ethyl ester, (5E)-
  • AIDS-195746

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 208 aa 26.4 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 245 aa 25.7 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 222 aa 22.5 %
Trypanosoma congolense Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative Reverse transcriptase   259 aa 237 aa 29.1 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 226 aa 24.3 %
Candida albicans ReverseTranscriptase similar to fruit fly Tom element Reverse transcriptase   259 aa 244 aa 27.9 %
Candida albicans hypothetical protein Reverse transcriptase   259 aa 223 aa 29.1 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Candida albicans polyprotein of retrotransposon Tca8 Reverse transcriptase   259 aa 238 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cathepsin L cysteine protease 0.0364 0.4613 0.3888
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0102 0.1046 0.1046
Trypanosoma brucei RNA helicase, putative 0.0167 0.1924 0.2206
Schistosoma mansoni cathepsin F (C01 family) 0.0262 0.3224 0.2432
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Brugia malayi Cathepsin L-like precursor 0.0364 0.4613 0.4613
Trypanosoma cruzi cruzipain precursor, putative 0.0102 0.1046 0.1046
Loa Loa (eye worm) hypothetical protein 0.0262 0.3224 0.3224
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Entamoeba histolytica cysteine proteinase, putative 0.0364 0.4613 1
Schistosoma mansoni cathepsin S (C01 family) 0.0112 0.1186 0.0156
Entamoeba histolytica cysteine proteinase 2 0.0215 0.2575 0.4054
Loa Loa (eye worm) hypothetical protein 0.0112 0.1186 0.1186
Echinococcus multilocularis cathepsin b 0.0761 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0364 0.4613 1
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0112 0.1186 0.0392
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0262 0.3224 0.3224
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Loa Loa (eye worm) hypothetical protein 0.0761 1 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0112 0.1186 0.0392
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0364 0.4613 0.4613
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0112 0.1186 0.0392
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.1186 0.0156
Brugia malayi cathepsin F-like cysteine proteinase 0.0112 0.1186 0.1186
Onchocerca volvulus Cathepsin L homolog 0.0364 0.4613 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0112 0.1186 0.0156
Onchocerca volvulus 0.0364 0.4613 1
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.1186 0.1186
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Plasmodium vivax unspecified product 0.0215 0.2575 0.4287
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0112 0.1186 0.0392
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0215 0.2575 0.2953
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Brugia malayi cathepsin Z-like cysteine proteinase 0.0112 0.1186 0.1186
Brugia malayi Cathepsin L-like cysteine proteinase 0.0262 0.3224 0.3224
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Toxoplasma gondii cathepsin B 0.0667 0.8721 1
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.9118 0.8999
Echinococcus granulosus cathepsin l cysteine peptidase 0.0364 0.4613 0.3888
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0262 0.3224 0.2704
Schistosoma mansoni cathepsin F (C01 family) 0.0364 0.4613 0.3984
Plasmodium vivax serine-repeat antigen (SERA) 0.0112 0.1186 0.0392
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.1186 0.0156
Brugia malayi cathepsin Z-like cysteine proteinase 0.0112 0.1186 0.1186
Brugia malayi cathepsin L precursor 0.0112 0.1186 0.1186
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0112 0.1186 0.0156
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.1186 0.1186
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0112 0.1186 0.1186
Entamoeba histolytica cysteine proteinase 1, putative 0.0215 0.2575 0.4054
Loa Loa (eye worm) cathepsin B 0.0667 0.8721 0.8721
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.1186 0.0156
Schistosoma mansoni hypothetical protein 0.0167 0.1924 0.098
Loa Loa (eye worm) hypothetical protein 0.0102 0.1046 0.1046
Giardia lamblia Cathepsin B precursor 0.0667 0.8721 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0102 0.1046 0.1046
Giardia lamblia Cathepsin B precursor 0.0667 0.8721 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Echinococcus granulosus cysteine protease 0.0215 0.2575 0.1576
Loa Loa (eye worm) hypothetical protein 0.0364 0.4613 0.4613
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.1186 0.0156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0215 0.2575 0.1844
Brugia malayi Cathepsin L-like precursor 0.0364 0.4613 0.4613
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0112 0.1186 0.0392
Trypanosoma brucei cysteine peptidase C (CPC) 0.0667 0.8721 1
Trypanosoma cruzi cruzipain precursor, putative 0.0364 0.4613 0.4613
Echinococcus granulosus cathepsin L cysteine proteinase 0.0364 0.4613 0.3888
Giardia lamblia Cathepsin B precursor 0.0667 0.8721 1
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0215 0.2575 0.1844
Echinococcus granulosus cathepsin l1 0.0364 0.4613 0.3888
Onchocerca volvulus Cathepsin L homolog 0.0364 0.4613 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0112 0.1186 0.0392
Onchocerca volvulus 0.0364 0.4613 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Trypanosoma cruzi cysteine peptidase, putative 0.0215 0.2575 0.2575
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0761 1 1
Plasmodium vivax vivapain-2 0.0364 0.4613 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0364 0.4613 0.3888
Toxoplasma gondii cathepsin CPL 0.0364 0.4613 0.4548
Onchocerca volvulus 0.0364 0.4613 1
Echinococcus granulosus microtubule associated protein 2 0.0696 0.9118 0.8999
Echinococcus granulosus cathepsin l1 0.0262 0.3224 0.2312
Echinococcus multilocularis cathepsin L cysteine protease 0.0364 0.4613 0.3888
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0112 0.1186 0.0392
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0215 0.2575 0.1708
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Onchocerca volvulus 0.0364 0.4613 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0112 0.1186 0.0156
Brugia malayi Cathepsin L-like precursor 0.0262 0.3224 0.3224
Brugia malayi Papain family cysteine protease containing protein 0.0215 0.2575 0.2575
Onchocerca volvulus 0.0364 0.4613 1
Echinococcus granulosus cathepsin L cysteine protease 0.0215 0.2575 0.1576
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0112 0.1186 0.0392
Loa Loa (eye worm) cysteine protease 0.0364 0.4613 0.4613
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Brugia malayi Papain family cysteine protease containing protein 0.0215 0.2575 0.2575
Brugia malayi fibroinase precursor 0.0112 0.1186 0.1186
Echinococcus granulosus cathepsin b 0.0761 1 1
Echinococcus multilocularis cysteine protease 0.0364 0.4613 0.3888
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0112 0.1186 0.1186
Brugia malayi Cathepsin L-like precursor 0.0364 0.4613 0.4613
Schistosoma mansoni cathepsin C 0.0112 0.1186 0.0156
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0761 1 1
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0667 0.8721 1
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.1186 0.1186
Loa Loa (eye worm) hypothetical protein 0.0262 0.3224 0.3224
Brugia malayi cathepsin F-like cysteine proteinase 0.0102 0.1046 0.1046
Trypanosoma cruzi cysteine proteinase, putative 0.0215 0.2575 0.2575
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0761 1 1
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Entamoeba histolytica cysteine proteinase, putative 0.0215 0.2575 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0102 0.1046 0.1046
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0761 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0364 0.4613 1
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0112 0.1186 0.1186
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Plasmodium vivax serine-repeat antigen (SERA) 0.0112 0.1186 0.0392
Trypanosoma cruzi cysteine peptidase, putative 0.0364 0.4613 0.4613
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0667 0.8721 0.8721
Brugia malayi Cathepsin L-like precursor 0.0364 0.4613 0.4613
Entamoeba histolytica cysteine proteinase, putative 0.0215 0.2575 0.4054
Echinococcus granulosus cathepsin L 0.0215 0.2575 0.1576
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Brugia malayi Cathepsin L-like precursor 0.0364 0.4613 0.4613
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0215 0.2575 0.2575
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Entamoeba histolytica cysteine proteinase, putative 0.0262 0.3224 0.5946
Loa Loa (eye worm) hypothetical protein 0.0102 0.1046 0.1046
Schistosoma mansoni cathepsin B (C01 family) 0.0112 0.1186 0.0156
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Plasmodium vivax vivapain-3 0.0215 0.2575 0.4287
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Plasmodium falciparum cysteine proteinase falcipain 1 0.0215 0.2575 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0215 0.2575 0.4054
Entamoeba histolytica cysteine protease, putative 0.0364 0.4613 1
Onchocerca volvulus 0.0364 0.4613 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0667 0.8721 0.8572
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Loa Loa (eye worm) ctsf protein 0.0364 0.4613 0.4613
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0112 0.1186 0.0156
Loa Loa (eye worm) hypothetical protein 0.0262 0.3224 0.3224
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0215 0.2575 0.1708
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.9118 0.9014
Loa Loa (eye worm) hypothetical protein 0.0112 0.1186 0.1186
Loa Loa (eye worm) hypothetical protein 0.0102 0.1046 0.1046
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Onchocerca volvulus Cathepsin F homolog 0.0364 0.4613 1
Schistosoma mansoni cathepsin F (C01 family) 0.0364 0.4613 0.3984
Leishmania major cysteine peptidase A (CPA) 0.0364 0.4613 0.5289
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0761 1 1
Echinococcus granulosus cathepsin b 0.0761 1 1
Brugia malayi Cathepsin L-like precursor 0.0102 0.1046 0.1046
Loa Loa (eye worm) hypothetical protein 0.0112 0.1186 0.1186
Plasmodium vivax unspecified product 0.0112 0.1186 0.0392
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0364 0.4613 1
Onchocerca volvulus 0.0262 0.3224 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0364 0.4613 0.4613
Loa Loa (eye worm) fibroinase 0.0364 0.4613 0.4613
Trypanosoma cruzi cysteine proteinase, putative 0.0215 0.2575 0.2575
Brugia malayi cathepsin L-like precursor 0.0262 0.3224 0.3224
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0112 0.1186 0.0392
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.1186 0.1186
Brugia malayi Cathepsin L-like precursor 0.0364 0.4613 0.4613
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0364 0.4613 0.3888
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0112 0.1186 0.1186
Loa Loa (eye worm) hypothetical protein 0.0112 0.1186 0.1186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Trypanosoma cruzi cysteine protease, putative 0.0215 0.2575 0.2575
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0667 0.8721 1
Brugia malayi Cathepsin L-like precursor 0.0262 0.3224 0.3224
Brugia malayi Papain family cysteine protease containing protein 0.0364 0.4613 0.4613
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0364 0.4613 0.4548
Plasmodium vivax vivapain-1 0.0215 0.2575 0.4287
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0112 0.1186 0.0392
Entamoeba histolytica cysteine proteinase, putative 0.0215 0.2575 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0215 0.2575 0.2953
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0364 0.4613 1
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Loa Loa (eye worm) hypothetical protein 0.0112 0.1186 0.1186
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.1186 0.0156
Leishmania major cathepsin L-like protease 0.0364 0.4613 0.5289
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Plasmodium vivax vivapain-2 0.0364 0.4613 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma cruzi cysteine peptidase, putative 0.0364 0.4613 0.4613
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Echinococcus multilocularis cathepsin L 0.0215 0.2575 0.1576
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0364 0.4613 0.4548
Trypanosoma cruzi cysteine peptidase, putative 0.0364 0.4613 0.4613
Echinococcus multilocularis cathepsin b 0.0761 1 1
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0262 0.3224 0.2704
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0364 0.4613 0.4613
Trypanosoma cruzi major cysteine proteinase, putative 0.0112 0.1186 0.1186
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0364 0.4613 0.5289
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0364 0.4613 0.4548
Brugia malayi cathepsin L-like cysteine proteinase 0.0112 0.1186 0.1186
Onchocerca volvulus 0.0364 0.4613 1
Echinococcus multilocularis cysteine protease 0.0364 0.4613 0.3888
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0215 0.2575 0.1708
Entamoeba histolytica cysteine protease, putative 0.0215 0.2575 0.4054
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0112 0.1186 0.1186

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 27 uM Cytotoxic concentration required to reduce the viability of mock-infected cells was determined by using MTT assay ChEMBL. 15026063
CC50 (ADMET) > 50 uM Cytotoxicity against human HeLa cells expressing CD4 after 24 hrs by beta-galactosidase reporter gene assay ChEMBL. 24124919
EC50 (functional) > 27 uM Effective concentration required to reduce the exponential growth of MT-4/KB cells ChEMBL. 15026063
EC50 (functional) > 27 uM Effective concentration required to reduce the exponential growth of MT-4/KB cells ChEMBL. 15026063
IC50 (binding) = 6.7 uM Inhibition of RNase H activity of recombinant HIV1 reverse transcriptase using poly(dC)-[3H]poly(rG) as substrate ChEMBL. 24124919
IC50 (binding) = 38 uM Inhibitory activity against HIV-1 integrase. ChEMBL. 15026063
IC50 (binding) = 38 uM Inhibitory activity against HIV-1 integrase. ChEMBL. 15026063
IC50 (binding) = 50 uM Inhibitory activity against HIV-1 integrase. ChEMBL. 15026063
IC50 (binding) = 50 uM Inhibitory activity against HIV-1 integrase. ChEMBL. 15026063
IC50 (binding) = 110 uM Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by electrochemiluminescent plate-based assay ChEMBL. 24124919
S.I (functional) 0 Selectivity index of the compound was determined; ND=No data ChEMBL. 15026063

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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