TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1111.01 | Formula: C49H57Cl2N19O8
H donors: 10 H acceptors: 9 LogP: -1.66 Rotable bonds: 28
Rule of 5 violations (Lipinski): 3
SMILES: NC(=N)CCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cncc(c1)C(=O)Nc1cn(c(c1)C(=O)Nc1cn(c(c1)C(=O)Nc1cn(c(c1)C(=O)NCCC(=N)N)C)C)C.Cl.Cl
InChi: 1S/C49H55N19O8.2ClH/c1-63-22-30(12-34(63)44(71)55-9-7-40(50)51)59-48(75)38-16-32(24-67(38)5)61-46(73)36-14-28(20-65(36)3)57-42(69)26-11-27(19-54-18-26)43(70)58-29-15-37(66(4)21-29)47(74)62-33-17-39(68(6)25-33)49(76)60-31-13-35(64(2)23-31)45(72)56-10-8-41(52)53;;/h11-25H,7-10H2,1-6H3,(H3,50,51)(H3,52,53)(H,55,71)(H,56,72)(H,57,69)(H,58,70)(H,59,75)(H,60,76)(H,61,73)(H,62,74);2*1H
InChiKey: PNPFZNORCCMJDL-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0172	0.0812	0.0812
Trypanosoma cruzi	cysteine peptidase, putative	0.0865	0.5726	0.5726
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0273	0.1525	0.1512
Entamoeba histolytica	cysteine proteinase 1, putative	0.0465	0.2886	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0161	0.0732	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0192	0.095	0.0935
Brugia malayi	Papain family cysteine protease containing protein	0.0465	0.2886	0.2886
Trypanosoma cruzi	major cysteine proteinase, putative	0.0192	0.095	0.095
Loa Loa (eye worm)	ctsf protein	0.0865	0.5726	0.5719
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Onchocerca volvulus		0.0592	0.379	0.6059
Onchocerca volvulus		0.0865	0.5726	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1468	1	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0192	0.095	0.095
Echinococcus granulosus	cathepsin L cysteine protease	0.0465	0.2886	0.2886
Giardia lamblia	Cathepsin B precursor	0.0586	0.3749	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0273	0.1525	0.1525
Echinococcus multilocularis	short transient receptor potential channel 6	0.0063	0.0039	0.0039
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1468	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.095	0.095
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.095	0.095
Onchocerca volvulus		0.0192	0.095	0.028
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.095	0.0935
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.095	0.095
Loa Loa (eye worm)	cathepsin B	0.0586	0.3749	0.3739
Trypanosoma cruzi	cysteine peptidase, putative	0.0865	0.5726	0.5726
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Plasmodium vivax	vivapain-2	0.0865	0.5726	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0865	0.5726	0.5726
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0586	0.3749	0.586
Schistosoma mansoni	cathepsin C	0.0192	0.095	0.095
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0865	0.5726	0.5719
Trypanosoma cruzi	cysteine proteinase, putative	0.0465	0.2886	0.2886
Schistosoma mansoni	cathepsin s	0.0273	0.1525	0.1525
Trypanosoma cruzi	cysteine proteinase, putative	0.0465	0.2886	0.2886
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0192	0.095	0.095
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0192	0.095	0.1658
Echinococcus multilocularis	cathepsin L	0.0465	0.2886	0.2886
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0192	0.095	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0192	0.095	0.0935
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0192	0.095	0.095
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0192	0.095	0.095
Brugia malayi	cathepsin F-like cysteine proteinase	0.0192	0.095	0.095
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0865	0.5726	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0865	0.5726	1
Echinococcus multilocularis	transient receptor potential gamma protein	0.0096	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1525	0.1512
Brugia malayi	cathepsin L precursor	0.0192	0.095	0.095
Brugia malayi	cathepsin L-like cysteine proteinase	0.0192	0.095	0.095
Trypanosoma cruzi	cysteine peptidase, putative	0.0865	0.5726	0.5726
Echinococcus granulosus	cathepsin L	0.0465	0.2886	0.2886
Trypanosoma cruzi	cruzipain precursor, putative	0.0273	0.1525	0.1525
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0865	0.5726	0.5726
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.2886	0.504
Loa Loa (eye worm)	prolyl oligopeptidase	0.0172	0.0812	0.0797
Plasmodium vivax	vivapain-2	0.0865	0.5726	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Schistosoma mansoni	transient receptor potential channel	0.0063	0.0039	0.0039
Loa Loa (eye worm)	fibroinase	0.0865	0.5726	0.5719
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0865	0.5726	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0865	0.5726	0.5726
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1525	0.1512
Brugia malayi	Papain family cysteine protease containing protein	0.0865	0.5726	0.5726
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Schistosoma mansoni	transient receptor potential channel	0.0063	0.0039	0.0039
Onchocerca volvulus		0.0865	0.5726	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1468	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0592	0.379	0.5946
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0465	0.2886	0.2886
Trypanosoma cruzi	cruzipain precursor, putative	0.0865	0.5726	0.5726
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Entamoeba histolytica	cysteine proteinase, putative	0.0865	0.5726	1
Onchocerca volvulus	Cathepsin L homolog	0.0192	0.095	0.028
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.095	0.095
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0586	0.3749	0.6547
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0063	0.0039	0.0039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0865	0.5726	0.5726
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0865	0.5726	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Brugia malayi	fibroinase precursor	0.0192	0.095	0.095
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Leishmania major	cysteine peptidase A (CPA)	0.0865	0.5726	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.2886	0.4054
Echinococcus multilocularis	cathepsin L	0.0192	0.095	0.095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Entamoeba histolytica	cysteine proteinase, putative	0.0465	0.2886	0.4054
Plasmodium vivax	vivapain-1	0.0465	0.2886	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.095	0.095
Echinococcus multilocularis	cathepsin b	0.1468	1	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0865	0.5726	0.5726
Echinococcus granulosus	cathepsin b	0.1468	1	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0192	0.095	0.095
Echinococcus multilocularis	cathepsin L cysteine protease	0.0865	0.5726	0.5726
Loa Loa (eye worm)	hypothetical protein	0.0192	0.095	0.0935
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Echinococcus multilocularis	cathepsin b	0.1468	1	1
Echinococcus multilocularis	short transient receptor potential channel 6	0.0063	0.0039	0.0039
Entamoeba histolytica	cysteine proteinase, putative	0.0465	0.2886	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.2886	0.504
Brugia malayi	prolyl oligopeptidase family protein	0.0172	0.0812	0.0812
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0192	0.095	0.095
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0586	0.3749	0.6547
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0273	0.1525	0.1525
Toxoplasma gondii	cathepsin CPC1	0.0192	0.095	0.1658
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0192	0.095	0.0935
Onchocerca volvulus	Cathepsin F homolog	0.0865	0.5726	1
Echinococcus multilocularis	cysteine protease	0.0865	0.5726	0.5726
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1468	1	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0063	0.0039	0.0039
Schistosoma mansoni	cathepsin D (A01 family)	0.0161	0.0732	0.0732
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0465	0.2886	0.2886
Onchocerca volvulus		0.0865	0.5726	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0465	0.2886	0.2886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0465	0.2886	0.2886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0865	0.5726	0.5726
Brugia malayi	Cathepsin L-like precursor	0.0865	0.5726	0.5726
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0172	0.0812	0.0812
Giardia lamblia	Cathepsin B precursor	0.0586	0.3749	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0592	0.379	0.379
Plasmodium vivax	vivapain-3	0.0465	0.2886	0.4054
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0269	0.0253
Trypanosoma cruzi	cysteine peptidase, putative	0.0865	0.5726	0.5726
Echinococcus granulosus	cathepsin l1	0.0592	0.379	0.379
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.095	0.095
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0865	0.5726	0.5719
Echinococcus granulosus	transient receptor potential ion channel A	0.0093	0.0246	0.0246
Schistosoma mansoni	cathepsin F (C01 family)	0.0865	0.5726	0.5726
Loa Loa (eye worm)	hypothetical protein	0.0865	0.5726	0.5719
Echinococcus granulosus	cathepsin l1	0.0865	0.5726	0.5726
Entamoeba histolytica	cysteine protease, putative	0.0865	0.5726	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0865	0.5726	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0592	0.379	0.379
Echinococcus granulosus	transient receptor potential gamma protein	0.0096	0.0269	0.0269
Entamoeba histolytica	cysteine proteinase 2	0.0465	0.2886	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0192	0.095	0.0935
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0586	0.3749	0.3749
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.095	0.095
Schistosoma mansoni	transient receptor potential channel	0.0096	0.0269	0.0269
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.095	0.095
Trypanosoma cruzi	major cysteine proteinase, putative	0.0192	0.095	0.095
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0172	0.0812	0.0812
Echinococcus granulosus	cathepsin b	0.1468	1	1
Loa Loa (eye worm)	hypothetical protein	0.1468	1	1
Onchocerca volvulus		0.0865	0.5726	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0865	0.5726	0.5726
Loa Loa (eye worm)	hypothetical protein	0.0592	0.379	0.378
Loa Loa (eye worm)	hypothetical protein	0.0592	0.379	0.378
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0192	0.095	0.095
Echinococcus multilocularis	cysteine protease	0.0865	0.5726	0.5726
Loa Loa (eye worm)	hypothetical protein	0.0192	0.095	0.0935
Schistosoma mansoni	transient receptor potential channel 4	0.0096	0.0269	0.0269
Giardia lamblia	Cathepsin B precursor	0.0586	0.3749	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0592	0.379	0.5946
Plasmodium vivax	unspecified product	0.0273	0.1525	0.1205
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0192	0.095	0.095
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1525	0.1512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0592	0.379	0.5946
Onchocerca volvulus		0.0865	0.5726	1
Onchocerca volvulus		0.0865	0.5726	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0586	0.3749	0.3749
Echinococcus multilocularis	cathepsin L cysteine protease	0.0865	0.5726	0.5726
Entamoeba histolytica	cysteine proteinase, putative	0.0465	0.2886	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0592	0.379	0.379
Echinococcus granulosus	cathepsin L	0.0192	0.095	0.095
Echinococcus multilocularis	transient receptor potential ion channel A	0.0093	0.0246	0.0246
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0865	0.5726	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0465	0.2886	0.2886
Entamoeba histolytica	cysteine proteinase, putative	0.0465	0.2886	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0592	0.379	0.379
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.2886	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0273	0.1525	0.1525
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0273	0.1525	0.1525
Brugia malayi	cathepsin L-like precursor	0.0592	0.379	0.379
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Echinococcus granulosus	cysteine protease	0.0465	0.2886	0.2886
Schistosoma mansoni	cathepsin F (C01 family)	0.0592	0.379	0.379
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Brugia malayi	Cathepsin L-like precursor	0.0865	0.5726	0.5726
Plasmodium vivax	unspecified product	0.0465	0.2886	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0865	0.5726	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0865	0.5726	0.5726
Onchocerca volvulus	Cathepsin L homolog	0.0865	0.5726	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0465	0.2886	0.4054
Schistosoma mansoni	cathepsin S (C01 family)	0.0192	0.095	0.095
Leishmania major	cathepsin L-like protease	0.0865	0.5726	1
Toxoplasma gondii	cathepsin B	0.0586	0.3749	0.6547
Brugia malayi	Papain family cysteine protease containing protein	0.0465	0.2886	0.2886
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1468	1	1
Onchocerca volvulus		0.0865	0.5726	1
Toxoplasma gondii	cathepsin CPL	0.0865	0.5726	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.095	0.0935
Trypanosoma cruzi	cysteine protease, putative	0.0465	0.2886	0.2886
Entamoeba histolytica	cysteine protease, putative	0.0465	0.2886	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0865	0.5726	0.5726
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0865	0.5726	1
Toxoplasma gondii	cathepsin CPC2	0.0192	0.095	0.1658
Loa Loa (eye worm)	cysteine protease	0.0865	0.5726	0.5719
Loa Loa (eye worm)	hypothetical protein	0.0592	0.379	0.378

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	Moderate 0	Inhibitory activity of the compound against T4-lymphocytes (CEM cell line) infected with HIV-1; moderate	ChEMBL.	1322989
EC50 (functional)	= 9.8 uM	Inhibitory activity against HIV-1 in T4-lymphocytes (CEM cell line).	ChEMBL.	1322989
IC50 (functional)	= 69 uM	Inhibition of T4-lymphocytes (CEM cell line) infected with HIV-1.	ChEMBL.	1322989
IC50 (functional)	= 69 uM	Inhibition of T4-lymphocytes (CEM cell line) infected with HIV-1.	ChEMBL.	1322989
MIC50 (functional)	> 100 ug ml-1	Concentration of the compound inhibiting moloney murine leukemia retrovirus	ChEMBL.	1322989
TD50 (functional)	> 100 ug ml-1	Inhibitory activity of the compound on moloney murine leukemia retrovirus.	ChEMBL.	1322989
TI50 (ADMET)	= 7	Therapeutic index (TI) of the compound was measured as ratio of IC50 and EC50 (HIV-1)	ChEMBL.	1322989

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

ChEMBL: CHEMBL444022

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 401977