Detailed information for compound 1462419

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.449 | Formula: C23H26O6
  • H donors: 0 H acceptors: 3 LogP: 4.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c2c1C(=O)C(=CC2=O)[C@H](OC(=O)C=C(C)C)CC=C(C)C)OC
  • InChi: 1S/C23H26O6/c1-13(2)7-8-17(29-20(25)11-14(3)4)15-12-16(24)21-18(27-5)9-10-19(28-6)22(21)23(15)26/h7,9-12,17H,8H2,1-6H3/t17-/m1/s1
  • InChiKey: AKSOTMUOVHSZEO-QGZVFWFLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum serine repeat antigen 2 0.0026 0.0381 0.2557
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0026 0.0381 0.2557
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.104 0.185
Brugia malayi hypothetical protein 0.0032 0.051 0.0516
Trypanosoma brucei cysteine peptidase C (CPC) 0.0154 0.2889 0.3404
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0513 0.9879 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0032 0.051 0.3421
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0381 0.0449
Schistosoma mansoni hypothetical protein 0.0032 0.051 0.0516
Echinococcus multilocularis SAM domain containing protein 0.0032 0.051 0.0516
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0049 0.083 0.0978
Loa Loa (eye worm) hypothetical protein 0.0442 0.8489 0.9997
Entamoeba histolytica cysteine proteinase, putative 0.0049 0.083 0.084
Onchocerca volvulus 0.0083 0.1489 0.1838
Giardia lamblia Cathepsin B precursor 0.0026 0.0381 0.1318
Loa Loa (eye worm) hypothetical protein 0.0276 0.5267 0.6202
Brugia malayi WGR domain containing protein 0.0442 0.8489 0.8592
Giardia lamblia Cathepsin B precursor 0.0026 0.0381 0.1318
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0381 0.0677
Brugia malayi Cathepsin L-like precursor 0.0083 0.1489 0.1508
Leishmania major cysteine peptidase A (CPA) 0.0083 0.1489 0.463
Loa Loa (eye worm) hypothetical protein 0.0032 0.051 0.06
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Brugia malayi Liprin-alpha 2 0.0032 0.051 0.0516
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0381 0.0386
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0026 0.0381 0.0386
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0449
Loa Loa (eye worm) fibroinase 0.0083 0.1489 0.1754
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0026 0.0381 0.2557
Loa Loa (eye worm) cysteine protease 0.0083 0.1489 0.1754
Echinococcus multilocularis stromal interaction molecule 1 0.0032 0.051 0.0516
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0381 0.0677
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0023 0.0329 0.0387
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0026 0.0381 0.0386
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0026 0.0381 0.0386
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Schistosoma mansoni hypothetical protein 0.0032 0.051 0.0516
Trypanosoma cruzi major cysteine proteinase, putative 0.0026 0.0381 0.0449
Entamoeba histolytica cysteine protease, putative 0.0026 0.0381 0.0386
Echinococcus granulosus liprin alpha 2 0.0032 0.051 0.0516
Loa Loa (eye worm) hypothetical protein 0.0032 0.051 0.06
Brugia malayi fibroinase precursor 0.0026 0.0381 0.0386
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.051 0.0906
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0513 0.9879 1
Trypanosoma brucei DNA repair protein, putative 0.0021 0.0282 0.0332
Loa Loa (eye worm) hypothetical protein 0.006 0.104 0.1225
Giardia lamblia Cysteine protease 0.0026 0.0381 0.1318
Loa Loa (eye worm) tnks protein 0.0427 0.8212 0.9671
Echinococcus granulosus cathepsin l1 0.0083 0.1489 0.1508
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0021 0.0282 0.0332
Onchocerca volvulus Cathepsin L homolog 0.0083 0.1489 0.1838
Schistosoma mansoni cathepsin F (C01 family) 0.0083 0.1489 0.1508
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Brugia malayi cathepsin F-like cysteine proteinase 0.0023 0.0329 0.0333
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0026 0.0381 0.2557
Echinococcus granulosus cathepsin l1 0.006 0.104 0.1053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Entamoeba histolytica cysteine protease, putative 0.0026 0.0381 0.0386
Entamoeba histolytica cysteine proteinase, putative 0.0049 0.083 0.084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Plasmodium falciparum serine repeat antigen 1 0.0026 0.0381 0.2557
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0381 0.0386
Echinococcus granulosus WGR domain containing protein 0.0178 0.3354 0.3395
Onchocerca volvulus 0.0083 0.1489 0.1838
Brugia malayi coiled-coil like protein 1 0.0032 0.051 0.0516
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0083 0.1489 0.1508
Loa Loa (eye worm) hypothetical protein 0.0023 0.0329 0.0387
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.051 0.0906
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0381 0.0677
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0442 0.8489 0.8592
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0083 0.1489 0.1754
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Brugia malayi cathepsin L-like precursor 0.006 0.104 0.1053
Entamoeba histolytica cysteine proteinase, putative 0.0049 0.083 0.084
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0381 0.0386
Trypanosoma cruzi cysteine peptidase, putative 0.0083 0.1489 0.1754
Plasmodium vivax vivapain-2 0.0083 0.1489 1
Loa Loa (eye worm) hypothetical protein 0.006 0.104 0.1225
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Plasmodium falciparum serine repeat antigen 3 0.0026 0.0381 0.2557
Schistosoma mansoni sarm1 0.0032 0.051 0.0516
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0083 0.1489 0.1508
Echinococcus multilocularis cathepsin L 0.0026 0.0381 0.0386
Echinococcus granulosus Sterile alpha motif SAM 0.0032 0.051 0.0516
Giardia lamblia Cysteine protease 0.0026 0.0381 0.1318
Entamoeba histolytica hypothetical protein 0.0146 0.2727 0.2761
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0449
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Giardia lamblia Cathepsin B precursor 0.0154 0.2889 1
Loa Loa (eye worm) ctsf protein 0.0083 0.1489 0.1754
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.083 0.0978
Entamoeba histolytica cysteine proteinase, putative 0.0049 0.083 0.084
Plasmodium vivax vivapain-3 0.0049 0.083 0.5575
Trypanosoma cruzi cysteine peptidase, putative 0.0023 0.0329 0.0387
Plasmodium falciparum cysteine proteinase falcipain 1 0.0049 0.083 0.5575
Echinococcus granulosus cathepsin b 0.0442 0.8491 0.8595
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Brugia malayi Papain family cysteine protease containing protein 0.0049 0.083 0.084
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0026 0.0381 0.0386
Brugia malayi Cathepsin L-like precursor 0.006 0.104 0.1053
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0007 0.0009 0.0016
Giardia lamblia Cathepsin L precursor 0.0026 0.0381 0.1318
Entamoeba histolytica zinc finger protein, putative 0.0146 0.2727 0.2761
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0049 0.083 0.084
Echinococcus granulosus cathepsin l cysteine peptidase 0.0083 0.1489 0.1508
Plasmodium falciparum serine repeat antigen 6 0.0026 0.0381 0.2557
Brugia malayi cathepsin B-like cysteine proteinase 0.0442 0.8491 0.8595
Echinococcus multilocularis cathepsin L 0.0049 0.083 0.084
Loa Loa (eye worm) hypothetical protein 0.0023 0.0329 0.0387
Brugia malayi Cathepsin L-like precursor 0.006 0.104 0.1053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0295 0.564 0.5709
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0006 0 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0442 0.8491 0.8595
Trypanosoma cruzi cysteine peptidase, putative 0.0083 0.1489 0.1754
Brugia malayi WGR domain containing protein 0.0513 0.9879 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0442 0.8491 0.8595
Entamoeba histolytica cysteine protease, putative 0.0026 0.0381 0.0386
Giardia lamblia Cathepsin B precursor 0.0026 0.0381 0.1318
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.104 0.1225
Echinococcus granulosus liprin beta 1 0.0032 0.051 0.0516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.083 0.0978
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0154 0.2889 0.3403
Schistosoma mansoni hypothetical protein 0.0032 0.051 0.0516
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0331 0.6332 0.7457
Echinococcus granulosus cathepsin L cysteine proteinase 0.0083 0.1489 0.1508
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0026 0.0381 0.1318
Chlamydia trachomatis DNA ligase 0.0006 0 0.5
Echinococcus granulosus cathepsin L 0.0026 0.0381 0.0386
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0026 0.0381 0.1318
Plasmodium falciparum serine repeat antigen 7 0.0026 0.0381 0.2557
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0026 0.0381 0.2557
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0026 0.0381 0.2557
Onchocerca volvulus 0.0083 0.1489 0.1838
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0026 0.0381 0.2557
Plasmodium vivax vivapain-2 0.0083 0.1489 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0026 0.0381 0.0386
Echinococcus granulosus poly (ADP ribose) polymerase 0.0068 0.1197 0.1212
Toxoplasma gondii preprocathepsin c precursor, putative 0.0026 0.0381 0.0381
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0381 0.0386
Loa Loa (eye worm) hypothetical protein 0.0021 0.0282 0.0332
Brugia malayi cathepsin Z-like cysteine proteinase 0.0026 0.0381 0.0386
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0381 0.0677
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0154 0.2889 0.2925
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0083 0.1489 0.2649
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0449
Giardia lamblia Encystation-specific protease 0.0026 0.0381 0.1318
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Giardia lamblia Cathepsin B precursor 0.0154 0.2889 1
Brugia malayi Cathepsin L-like precursor 0.0083 0.1489 0.1508
Giardia lamblia Cysteine protease 0.0026 0.0381 0.1318
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0049 0.083 0.084
Trypanosoma cruzi cysteine peptidase, putative 0.0083 0.1489 0.1754
Brugia malayi Cathepsin L-like precursor 0.0083 0.1489 0.1508
Entamoeba histolytica hypothetical protein 0.0146 0.2727 0.2761
Echinococcus granulosus poly (ADP ribose) polymerase 0.0068 0.1197 0.1212
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0026 0.0381 0.0677
Onchocerca volvulus 0.006 0.104 0.1283
Onchocerca volvulus DNA ligase 3 homolog 0.0021 0.0282 0.0348
Brugia malayi Papain family cysteine protease containing protein 0.0083 0.1489 0.1508
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Entamoeba histolytica hypothetical protein 0.0146 0.2727 0.2761
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0026 0.0381 0.0677
Loa Loa (eye worm) hypothetical protein 0.0032 0.051 0.06
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Onchocerca volvulus Cathepsin F homolog 0.0083 0.1489 0.1838
Giardia lamblia Hypothetical protein 0.0026 0.0381 0.1318
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0442 0.8489 0.9997
Schistosoma mansoni lip-related protein (liprin) alpha 0.0032 0.051 0.0516
Echinococcus granulosus poly adp ribose polymerase 2 0.0442 0.8489 0.8592
Schistosoma mansoni cathepsin B (C01 family) 0.0026 0.0381 0.0386
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Entamoeba histolytica cysteine proteinase 1, putative 0.0049 0.083 0.084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.083 0.1477
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0007 0.0008 0.0015
Loa Loa (eye worm) hypothetical protein 0.0023 0.0329 0.0387
Entamoeba histolytica cysteine protease, putative 0.0026 0.0381 0.0386
Entamoeba histolytica cysteine protease, putative 0.0026 0.0381 0.0386
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0026 0.0381 0.0677
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Loa Loa (eye worm) hypothetical protein 0.0442 0.8491 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0381 0.0677
Onchocerca volvulus 0.0083 0.1489 0.1838
Loa Loa (eye worm) hypothetical protein 0.025 0.4745 0.5588
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0026 0.0381 0.2557
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0513 0.9879 1
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0032 0.051 0.0906
Brugia malayi Cathepsin L-like cysteine proteinase 0.006 0.104 0.1053
Loa Loa (eye worm) hypothetical protein 0.0083 0.1489 0.1754
Leishmania major cathepsin L-like protease 0.0083 0.1489 0.463
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0154 0.2889 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0026 0.0381 0.2557
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.104 0.185
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0021 0.0282 0.0332
Echinococcus granulosus poly (ADP ribose) polymerase 0.0178 0.3354 0.3395
Schistosoma mansoni hypothetical protein 0.0032 0.051 0.0516
Echinococcus multilocularis cathepsin b 0.0442 0.8491 0.8595
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0083 0.1489 0.1754
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0083 0.1489 0.2649
Schistosoma mansoni cathepsin F (C01 family) 0.006 0.104 0.1053
Onchocerca volvulus 0.0032 0.051 0.0629
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0026 0.0381 0.0677
Schistosoma mansoni cathepsin S (C01 family) 0.0026 0.0381 0.0386
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0026 0.0381 0.0386
Onchocerca volvulus 0.0083 0.1489 0.1838
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Toxoplasma gondii cathepsin CPL 0.0083 0.1489 0.1489
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Brugia malayi cathepsin F-like cysteine proteinase 0.0026 0.0381 0.0386
Echinococcus multilocularis liprin beta 1 0.0032 0.051 0.0516
Echinococcus multilocularis cathepsin b 0.0442 0.8491 0.8595
Trypanosoma cruzi cysteine protease, putative 0.0049 0.083 0.0978
Onchocerca volvulus 0.0083 0.1489 0.1838
Echinococcus multilocularis tankyrase 0.0459 0.8833 0.8941
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0083 0.1489 1
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0381 0.0677
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Brugia malayi Cathepsin L-like precursor 0.0083 0.1489 0.1508
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0032 0.051 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Trypanosoma cruzi cysteine proteinase, putative 0.0049 0.083 0.0978
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0023 0.0329 0.0333
Trypanosoma cruzi cruzipain precursor, putative 0.0023 0.0329 0.0387
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0026 0.0381 0.0677
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0442 0.8489 0.9997
Brugia malayi Cathepsin L-like precursor 0.0083 0.1489 0.1508
Brugia malayi Papain family cysteine protease containing protein 0.0049 0.083 0.084
Giardia lamblia Cathepsin L-like protease 0.0026 0.0381 0.1318
Entamoeba histolytica hypothetical protein 0.0068 0.1197 0.1212
Entamoeba histolytica cysteine protease, putative 0.0026 0.0381 0.0386
Giardia lamblia Cathepsin L precursor 0.0026 0.0381 0.1318
Brugia malayi cathepsin L precursor 0.0026 0.0381 0.0386
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0442 0.8491 0.8595
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0049 0.083 0.084
Giardia lamblia Cathepsin B precursor 0.0154 0.2889 1
Loa Loa (eye worm) cathepsin B 0.0154 0.2889 0.3403
Onchocerca volvulus Cathepsin L homolog 0.0083 0.1489 0.1838
Plasmodium vivax vivapain-1 0.0049 0.083 0.5575
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0032 0.051 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0032 0.051 0.051
Brugia malayi hypothetical protein 0.0032 0.051 0.0516
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0006 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0083 0.1489 0.1508
Plasmodium falciparum serine repeat antigen 5 0.0026 0.0381 0.2557
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0007 0.0019 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0083 0.1489 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0381 0.0677
Trypanosoma cruzi DNA repair protein, putative 0.0021 0.0282 0.0332
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0006 0 0.5
Echinococcus multilocularis cysteine protease 0.0083 0.1489 0.1508
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0026 0.0381 0.0449
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0026 0.0381 0.2557
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0381 0.0386
Trypanosoma cruzi cysteine peptidase, putative 0.0083 0.1489 0.1754
Entamoeba histolytica cysteine proteinase, putative 0.0083 0.1489 0.1508
Treponema pallidum DNA ligase (lig) 0.0006 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0026 0.0381 0.2557
Echinococcus multilocularis cathepsin L cysteine protease 0.0083 0.1489 0.1508
Entamoeba histolytica cysteine proteinase, putative 0.006 0.104 0.1053
Echinococcus granulosus stromal interaction molecule 1 0.0032 0.051 0.0516
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0381 0.047
Plasmodium falciparum serine repeat antigen 4 0.0026 0.0381 0.2557
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Plasmodium vivax unspecified product 0.0026 0.0381 0.2557
Schistosoma mansoni cathepsin s 0.0023 0.0329 0.0333
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Plasmodium vivax unspecified product 0.0023 0.0329 0.2206
Onchocerca volvulus 0.0083 0.1489 0.1838
Loa Loa (eye worm) hypothetical protein 0.0032 0.051 0.06
Entamoeba histolytica cysteine proteinase 2 0.0049 0.083 0.084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Brugia malayi cathepsin L-like cysteine proteinase 0.0026 0.0381 0.0386
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Plasmodium falciparum protein kinase, putative 0.0032 0.051 0.3421
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.051 0.0906
Plasmodium falciparum tyrosine kinase-like protein 0.0032 0.051 0.3421
Echinococcus granulosus cysteine protease 0.0049 0.083 0.084
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0026 0.0381 0.2557
Entamoeba histolytica hypothetical protein 0.0026 0.0381 0.0386
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0026 0.0381 0.1318
Echinococcus multilocularis liprin alpha 2 0.0032 0.051 0.0516
Echinococcus granulosus cathepsin L cysteine protease 0.0049 0.083 0.084
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0381 0.0386
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0449
Trypanosoma cruzi cysteine proteinase, putative 0.0049 0.083 0.0978
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Echinococcus multilocularis cathepsin L cysteine protease 0.0083 0.1489 0.1508
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Toxoplasma gondii cathepsin CPC1 0.0026 0.0381 0.0381
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0083 0.1489 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0026 0.0381 0.2557
Giardia lamblia Cathepsin L precursor 0.0026 0.0381 0.1318
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0083 0.1489 0.1754
Echinococcus granulosus cathepsin b 0.0442 0.8491 0.8595
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0026 0.0381 0.0677
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0381 0.0449
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Brugia malayi Neurabin protein 1 0.0032 0.051 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0381 0.0677
Brugia malayi Cathepsin L-like precursor 0.0083 0.1489 0.1508
Echinococcus granulosus poly ADP ribose polymerase 1 0.0513 0.9879 1
Echinococcus granulosus cathepsin L 0.0049 0.083 0.084
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0083 0.1489 0.2649
Plasmodium falciparum serine repeat antigen 9 0.0026 0.0381 0.2557
Giardia lamblia Cathepsin B precursor 0.0026 0.0381 0.1318
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0381 0.0677
Entamoeba histolytica cysteine protease, putative 0.0049 0.083 0.084
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0032 0.051 0.06
Giardia lamblia Hypothetical protein 0.0026 0.0381 0.1318
Trypanosoma cruzi cruzipain precursor, putative 0.0083 0.1489 0.1754
Echinococcus granulosus SAM domain containing protein 0.0032 0.051 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0026 0.0381 0.0677
Brugia malayi Cathepsin L-like precursor 0.0023 0.0329 0.0333
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0026 0.0381 0.0677
Trypanosoma cruzi cysteine peptidase, putative 0.0049 0.083 0.0978
Onchocerca volvulus 0.0032 0.051 0.0629
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0026 0.0381 0.1318
Onchocerca volvulus Tankyrase homolog 0.0422 0.8105 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0449
Loa Loa (eye worm) hypothetical protein 0.0026 0.0381 0.0449
Toxoplasma gondii cathepsin CPC2 0.0026 0.0381 0.0381
Giardia lamblia Cathepsin L precursor 0.0026 0.0381 0.1318
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.083 0.1477
Brugia malayi Tnks protein 0.0456 0.8777 0.8885
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.051 0.0906
Giardia lamblia Cathepsin L precursor 0.0026 0.0381 0.1318
Plasmodium vivax unspecified product 0.0049 0.083 0.5575
Schistosoma mansoni tankyrase 0.046 0.8843 0.8951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0381 0.0677
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0026 0.0381 0.2557
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Giardia lamblia Cathepsin L-like protease 0.0026 0.0381 0.1318
Toxoplasma gondii cathepsin B 0.0154 0.2889 0.2889
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0442 0.8491 1
Entamoeba histolytica hypothetical protein 0.0146 0.2727 0.2761
Plasmodium falciparum serine repeat antigen 8 0.0026 0.0381 0.2557
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0032 0.051 0.0516
Plasmodium vivax serine-repeat antigen (SERA) 0.0026 0.0381 0.2557
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0026 0.0381 0.0386
Loa Loa (eye worm) hypothetical protein 0.006 0.104 0.1225
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0154 0.2889 0.5139
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0026 0.0381 0.2557
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0381 0.0677
Giardia lamblia Cathepsin B precursor 0.0026 0.0381 0.1318
Loa Loa (eye worm) hypothetical protein 0.0032 0.051 0.06
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.1489 0.2649
Onchocerca volvulus 0.0026 0.0381 0.047
Trichomonas vaginalis conserved hypothetical protein 0.0295 0.5622 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0442 0.8491 0.8595
Giardia lamblia Cathepsin L precursor 0.0026 0.0381 0.1318
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0026 0.0381 0.0386
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0381 0.0386
Giardia lamblia Cysteine protease 0.0026 0.0381 0.1318
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0214 0.4045 0.4095
Trypanosoma cruzi major cysteine proteinase, putative 0.0026 0.0381 0.0449
Schistosoma mansoni cathepsin F (C01 family) 0.0083 0.1489 0.1508
Entamoeba histolytica cysteine protease, putative 0.0083 0.1489 0.1508
Echinococcus granulosus tankyrase 0.0459 0.8833 0.8941
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0442 0.8489 0.8592
Echinococcus granulosus poly (ADP ribose) polymerase 0.0111 0.2036 0.2061
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0026 0.0381 0.0386
Echinococcus multilocularis cysteine protease 0.0083 0.1489 0.1508
Trypanosoma brucei poly(adp-ribose) polymerase 0.0442 0.8489 1
Schistosoma mansoni cathepsin C 0.0026 0.0381 0.0386
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0032 0.051 0.0516

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 53.7 % Antitumor activity against mouse S180 cells xenografted in Kunming mouse assessed as inhibition of tumor growth at 12 mg/kg/day, ip for 9 days relative to control ChEMBL. 20970893
Activity (ADMET) = 57.8 % Toxicity in mouse S180 cells xenografted Kunming mouse assessed as change body weight at 12 mg/kg/day, ip for 9 days (Rvb = 57.8%) ChEMBL. 20970893
IC50 (functional) = 3.3 uM Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay ChEMBL. 20970893
IC50 (functional) = 6.8 uM Antitumor activity against human MDA-MB-231 cells after 24 hrs by MTT assay ChEMBL. 21620530
IC50 (functional) = 9.7 uM Cytotoxicity against human HT-29 cells after 24 hrs by MTT assay ChEMBL. 20970893
IC50 (functional) = 11.7 uM Cytotoxicity against human K562 cells after 24 hrs by MTT assay ChEMBL. 20970893
IC50 (functional) = 19.5 uM Antitumor activity against human HCT15 cells after 24 hrs by MTT assay ChEMBL. 21620530
IC50 (functional) = 27.6 uM Antitumor activity against human CNE cells after 24 hrs by MTT assay ChEMBL. 21620530
IC50 (ADMET) > 100 uM Cytotoxicity against mouse L929 cells after 24 hrs by MTT assay ChEMBL. 21620530

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20970893

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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