TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 513.545 | Formula: C23H24FN7O4S
H donors: 1 H acceptors: 6 LogP: 1.04 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: COCc1nnn(c1)c1ncc(c2c1[nH]cc2S(=O)(=O)N1CCN(CC1C)C(=O)c1ccccc1)F
InChi: 1S/C23H24FN7O4S/c1-15-12-29(23(32)16-6-4-3-5-7-16)8-9-31(15)36(33,34)19-11-25-21-20(19)18(24)10-26-22(21)30-13-17(14-35-2)27-28-30/h3-7,10-11,13,15,25H,8-9,12,14H2,1-2H3
InChiKey: DRVFDOLVHIQECA-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
Onchocerca volvulus	Cathepsin L homolog	0.0012	0.038	0.0442
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0012	0.038	0.0529
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0082	0.3189	0.4023
Trypanosoma brucei	telomerase reverse transcriptase	0.0046	0.175	0.1747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0026	0.0943	0.1185
Entamoeba histolytica	cysteine protease, putative	0.0012	0.038	0.0479
Leishmania major	cathepsin L-like protease	0.0066	0.2543	0.254
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0082	0.3189	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.1257	0.1253
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0066	0.2543	0.7918
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0012	0.038	0.0784
Echinococcus multilocularis	cathepsin L	0.0034	0.1257	0.1753
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Brugia malayi	Papain family cysteine protease containing protein	0.0012	0.038	0.0784
Giardia lamblia	Hypothetical protein	0.0012	0.038	0.2149
Brugia malayi	Rhodanese-like domain containing protein	0.0026	0.0943	0.1948
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0046	0.175	0.1747
Schistosoma mansoni	protein phosphatase 2C	0.0033	0.1224	0.1708
Echinococcus multilocularis	cathepsin L	0.0012	0.038	0.0529
Brugia malayi	cathepsin L-like precursor	0.0044	0.1666	0.3442
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Schistosoma mansoni	cathepsin S (C01 family)	0.0012	0.038	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0767	0.2405
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0767	0.2405
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0007	0.0185	0.058
Onchocerca volvulus		0.0044	0.1666	0.2388
Echinococcus multilocularis	geminin	0.018	0.7169	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0046	0.175	0.1747
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0012	0.038	0.0784
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Loa Loa (eye worm)	cysteine protease	0.0066	0.2543	0.7975
Schistosoma mansoni	cathepsin B (C01 family)	0.0012	0.038	0.0529
Trichomonas vaginalis	cdc25b, putative	0.0026	0.0943	0.1185
Echinococcus granulosus	protein phosphatase 2c	0.0005	0.0087	0.0122
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.2543	0.3548
Toxoplasma gondii	cathepsin CPC1	0.0012	0.038	0.0942
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1257	0.1587
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0007	0.0185	0.0258
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1855	0.2587
Trypanosoma cruzi	cysteine protease, putative	0.0034	0.1257	0.1253
Leishmania major	telomerase reverse transcriptase, putative	0.0046	0.175	0.1747
Trypanosoma cruzi	protein phosphatase 2C, putative	0.0005	0.0087	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Brugia malayi	Rhodanese-like domain containing protein	0.0026	0.0943	0.1948
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1257	0.1587
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Schistosoma mansoni	ap endonuclease	0.0007	0.0185	0.0258
Giardia lamblia	Cysteine protease	0.0012	0.038	0.2149
Plasmodium vivax	protein phosphatase PPM2, putative	0.0005	0.0087	0.026
Toxoplasma gondii	RNA-directed DNA polymerase	0.0046	0.175	0.536
Brugia malayi	exodeoxyribonuclease III family protein	0.0007	0.0185	0.0382
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.038	0.0474
Giardia lamblia	Cathepsin L-like protease	0.0012	0.038	0.2149
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0199	0.7921	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0066	0.2543	0.7975
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0082	0.3189	0.4449
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Schistosoma mansoni	cathepsin s	0.0022	0.0767	0.107
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0082	0.3189	0.4449
Onchocerca volvulus		0.0026	0.0943	0.1294
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0012	0.038	0.0529
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1257	0.1582
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1855	0.2587
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0007	0.0185	0.0181
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0066	0.2543	0.3548
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0007	0.0185	0.0258
Trypanosoma cruzi	cysteine peptidase, putative	0.0251	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Echinococcus multilocularis	cysteine protease	0.0066	0.2543	0.3548
Onchocerca volvulus	Cathepsin L homolog	0.0066	0.2543	0.3714
Schistosoma mansoni	protein phosphatase 2C	0.0033	0.1224	0.1708
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Echinococcus multilocularis	cysteine protease	0.0066	0.2543	0.3548
Schistosoma mansoni	serine/threonine protein kinase	0.0003	0.0004	0.0006
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.1257	0.1753
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0012	0.038	0.1178
Entamoeba histolytica	rodhanase-like domain containing protein	0.0026	0.0943	0.119
Trypanosoma cruzi	major cysteine proteinase, putative	0.0197	0.7836	0.7835
Brugia malayi	Papain family cysteine protease containing protein	0.0012	0.038	0.0784
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Onchocerca volvulus		0.0066	0.2543	0.3714
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0039	0.1452	0.4399
Entamoeba histolytica	rodhanase-like domain containing protein	0.0026	0.0943	0.119
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0012	0.038	0.0474
Plasmodium vivax	unspecified product	0.0022	0.0767	0.2395
Giardia lamblia	Cathepsin L precursor	0.0012	0.038	0.2149
Plasmodium vivax	unspecified product	0.0012	0.038	0.1178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0082	0.3189	0.4026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.1666	0.2099
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Brugia malayi	cathepsin F-like cysteine proteinase	0.0022	0.0767	0.1585
Giardia lamblia	Phosphatase	0.0005	0.0087	0.0475
Entamoeba histolytica	cysteine proteinase 2	0.0034	0.1257	0.1587
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0066	0.2543	0.7918
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1257	0.1587
Brugia malayi	cathepsin L precursor	0.0012	0.038	0.0784
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1257	0.1582
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.2543	0.3211
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.1257	0.2597
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Plasmodium falciparum	serine repeat antigen 6	0.0012	0.038	0.0942
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0012	0.038	0.0784
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0012	0.038	0.1178
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1855	0.2587
Plasmodium falciparum	telomerase reverse transcriptase	0.0046	0.175	0.536
Loa Loa (eye worm)	fibroinase	0.0066	0.2543	0.7975
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0003	0.0004	0.0009
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.1666	0.2324
Trypanosoma cruzi	cruzipain precursor, putative	0.0251	1	1
Schistosoma mansoni	cathepsin C	0.0012	0.038	0.0529
Loa Loa (eye worm)	ctsf protein	0.0066	0.2543	0.7975
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0012	0.038	0.0474
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0066	0.2543	0.7918
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0229	0.9123	0.9122
Onchocerca volvulus		0.0066	0.2543	0.3714
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.1257	0.1253
Plasmodium vivax	vivapain-2	0.0066	0.2543	0.7972
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Brugia malayi	cathepsin F-like cysteine proteinase	0.0012	0.038	0.0784
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.038	0.0474
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0012	0.038	0.0529
Schistosoma mansoni	protein phosphatase 2C	0.0005	0.0087	0.0122
Trypanosoma cruzi	cysteine peptidase, putative	0.0251	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0767	0.0763
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Plasmodium falciparum	serine repeat antigen 3	0.0012	0.038	0.0942
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0026	0.0943	0.1185
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0012	0.038	0.1178
Giardia lamblia	Cysteine protease	0.0012	0.038	0.2149
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0012	0.038	0.1178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Trichomonas vaginalis	protein phosphatase type 2C, putative	0.0005	0.0087	0.0105
Giardia lamblia	Ser/Thr phosphatase 2C, putative	0.0005	0.0087	0.0475
Leishmania major	cysteine peptidase A (CPA)	0.0066	0.2543	0.254
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0022	0.0767	0.1585
Echinococcus granulosus	protein phosphatase 1b	0.0033	0.1224	0.1708
Brugia malayi	Protein kinase domain containing protein	0.0003	0.0004	0.0009
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.1257	0.1753
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0066	0.2543	0.3207
Leishmania major	cathepsin L-like protease	0.0251	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.038	0.0474
Brugia malayi	Cathepsin L-like precursor	0.0066	0.2543	0.5255
Plasmodium falciparum	serine repeat antigen 5	0.0012	0.038	0.0942
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Loa Loa (eye worm)	cathepsin B	0.0012	0.038	0.119
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0007	0.0185	0.0234
Giardia lamblia	Cathepsin L precursor	0.0012	0.038	0.2149
Leishmania major	protein phosphatase 2C-like protein	0.0005	0.0087	0.0083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Schistosoma mansoni	ap endonuclease	0.0007	0.0185	0.0258
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0007	0.0185	0.0181
Onchocerca volvulus		0.0026	0.0943	0.1294
Giardia lamblia	Cathepsin L-like protease	0.0012	0.038	0.2149
Onchocerca volvulus	Cathepsin L homolog	0.0066	0.2543	0.3714
Trichomonas vaginalis	cdc25b, putative	0.0026	0.0943	0.1185
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Giardia lamblia	Encystation-specific protease	0.0012	0.038	0.2149
Schistosoma mansoni	dual specificity protein phosphatase	0.0003	0.0011	0.0016
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0082	0.3189	1
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0082	0.3189	0.3186
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0087	0.0273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.2543	0.5255
Onchocerca volvulus		0.0066	0.2543	0.3714
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0066	0.2543	0.3548
Echinococcus granulosus	cathepsin l1	0.0044	0.1666	0.2324
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1855	0.2587
Entamoeba histolytica	cysteine protease, putative	0.0012	0.038	0.0479
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0082	0.3189	0.6589
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0026	0.0943	0.1315
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0012	0.038	0.1178
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0007	0.0185	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0012	0.038	0.0942
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.2543	0.3548
Echinococcus multilocularis	cathepsin L cysteine protease	0.0066	0.2543	0.3548
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0082	0.3189	0.3186
Brugia malayi	cathepsin B-like cysteine proteinase	0.0012	0.038	0.0784
Echinococcus multilocularis	cathepsin b	0.0012	0.038	0.0529
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0012	0.038	0.0474
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0007	0.0185	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0861	0.2698
Echinococcus multilocularis	protein phosphatase 1b	0.0033	0.1224	0.1708
Giardia lamblia	Cathepsin L precursor	0.0012	0.038	0.2149
Plasmodium vivax	serine-repeat antigen (SERA)	0.0012	0.038	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0943	0.2956
Echinococcus multilocularis	cathepsin L cysteine protease	0.0066	0.2543	0.3548
Plasmodium falciparum	serine repeat antigen 2	0.0012	0.038	0.0942
Trypanosoma brucei	protein phosphatase 2C, putative	0.0005	0.0087	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0943	0.2956
Onchocerca volvulus		0.0066	0.2543	0.3714
Echinococcus granulosus	mitogen activated protein kinase 15	0.0003	0.0004	0.0006
Trypanosoma cruzi	major cysteine proteinase, putative	0.0012	0.038	0.0375
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0012	0.038	0.119
Toxoplasma gondii	cathepsin CPC2	0.0012	0.038	0.0942
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0082	0.3189	0.4449
Brugia malayi	Cell division protein kinase 2	0.0003	0.0004	0.0009
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0012	0.038	0.1178
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0012	0.038	0.0375
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0007	0.0185	0.5
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.038	0.0474
Entamoeba histolytica	hypothetical protein	0.0012	0.038	0.0479
Echinococcus multilocularis	protein phosphatase 1b	0.0038	0.1417	0.1977
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1257	0.1587
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1666	0.5224
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Schistosoma mansoni	hypothetical protein	0.018	0.7169	1
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0026	0.0943	0.1315
Schistosoma mansoni	hypothetical protein	0.018	0.7169	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.2543	0.254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Onchocerca volvulus		0.0012	0.038	0.0442
Onchocerca volvulus		0.0026	0.0943	0.1294
Brugia malayi	Cathepsin L-like precursor	0.0066	0.2543	0.5255
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0012	0.038	0.0375
Leishmania major	cathepsin L-like protease	0.0066	0.2543	0.254
Entamoeba histolytica	dual specificity protein phosphatase, putative	0.0199	0.7921	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0066	0.2543	0.3207
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.038	0.0474
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0007	0.0185	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Schistosoma mansoni	protein phosphatase 2C	0.0038	0.1417	0.1977
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0012	0.038	0.0375
Loa Loa (eye worm)	haspin protein kinase	0.0003	0.0004	0.0013
Giardia lamblia	Cysteine protease	0.0012	0.038	0.2149
Brugia malayi	Cathepsin L-like precursor	0.0066	0.2543	0.5255
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Entamoeba histolytica	protein phosphatase, putative	0.0005	0.0087	0.011
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0082	0.3189	1
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0003	0.0004	0.0013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0026	0.0943	0.1185
Schistosoma mansoni	protein kinase	0.0003	0.0004	0.0006
Leishmania major	cathepsin L-like protease	0.0251	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0026	0.0943	0.1185
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0012	0.038	0.1178
Giardia lamblia	Cysteine protease	0.0012	0.038	0.2149
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0012	0.038	0.1178
Entamoeba histolytica	cysteine protease, putative	0.0012	0.038	0.0479
Giardia lamblia	Telomerase catalytic subunit	0.0046	0.175	1
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0003	0.0004	0.0006
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0046	0.175	0.5481
Brugia malayi	Protein phosphatase 2C containing protein	0.0005	0.0087	0.018
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0026	0.0943	0.1315
Plasmodium falciparum	serine repeat antigen 8	0.0012	0.038	0.0942
Plasmodium vivax	unspecified product	0.0034	0.1257	0.3932
Leishmania major	cathepsin L-like protease	0.0066	0.2543	0.254
Brugia malayi	Cathepsin L-like precursor	0.0044	0.1666	0.3442
Trypanosoma cruzi	protein phosphatase 2C-like, putative	0.0005	0.0087	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1666	0.5224
Brugia malayi	Papain family cysteine protease containing protein	0.0012	0.038	0.0784
Trichomonas vaginalis	cdc25c, putative	0.0026	0.0943	0.1185
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0026	0.0943	0.1185
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0034	0.1257	0.377
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0012	0.038	0.1178
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0012	0.038	0.2149
Toxoplasma gondii	cathepsin CPL	0.0066	0.2543	0.7918
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0003	0.0004	0.0006
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0007	0.0185	0.0181
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0012	0.038	0.0942
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0041	0.1562	0.489
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0012	0.038	0.0474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0082	0.3189	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.1666	0.2099
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.038	0.0474
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Brugia malayi	probable protein phosphatase 2C	0.0005	0.0087	0.018
Plasmodium falciparum	MO15-related protein kinase	0.0041	0.1562	0.4754
Brugia malayi	Cathepsin L-like precursor	0.0044	0.1666	0.3442
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Plasmodium falciparum	serine repeat antigen 9	0.0012	0.038	0.0942
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0169	0.67	1
Plasmodium falciparum	serine repeat antigen 1	0.0012	0.038	0.0942
Plasmodium vivax	serine-repeat antigen (SERA)	0.0012	0.038	0.1178
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0012	0.038	0.0942
Brugia malayi	Telomerase reverse transcriptase	0.0123	0.484	1
Brugia malayi	Papain family cysteine protease containing protein	0.0066	0.2543	0.5255
Trypanosoma cruzi	cysteine peptidase, putative	0.0251	1	1
Brugia malayi	Protein phosphatase 2C containing protein	0.0038	0.1417	0.2928
Entamoeba histolytica	rodhanase-like domain containing protein	0.0026	0.0943	0.119
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0012	0.038	0.119
Brugia malayi	Cathepsin L-like precursor	0.0066	0.2543	0.5255
Echinococcus multilocularis	protein phosphatase 2C	0.0005	0.0087	0.0122
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0012	0.038	0.0529
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0003	0.0004	0.0006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0034	0.1257	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2543	0.7975
Schistosoma mansoni	serine/threonine kinase	0.0003	0.0004	0.0006
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0012	0.038	0.2149
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0034	0.1257	0.1253
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0012	0.038	0.1178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0012	0.038	0.0474
Echinococcus granulosus	cathepsin L	0.0034	0.1257	0.1753
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1855	0.3832
Echinococcus granulosus	protein phosphatase 2c	0.0005	0.0087	0.0122
Echinococcus multilocularis	cathepsin b	0.0012	0.038	0.0529
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0066	0.2543	0.7975
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Echinococcus granulosus	cathepsin b	0.0012	0.038	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.038	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0767	0.2405
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0767	0.2405
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Entamoeba histolytica	cysteine proteinase 1, putative	0.0034	0.1257	0.1587
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Echinococcus granulosus	cysteine protease	0.0034	0.1257	0.1753
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0012	0.038	0.0479
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0012	0.038	0.119
Giardia lamblia	Hypothetical protein	0.0012	0.038	0.2149
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0003	0.0004	0.0006
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0012	0.038	0.0529
Leishmania major	cathepsin L-like protease	0.0066	0.2543	0.254
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.1666	0.2103
Plasmodium falciparum	serine repeat antigen 7	0.0012	0.038	0.0942
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0767	0.0763
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0012	0.038	0.0942
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Leishmania major	cathepsin L-like protease	0.0066	0.2543	0.254
Onchocerca volvulus		0.0066	0.2543	0.3714
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0082	0.3189	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.1257	0.1753
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.038	0.0474
Giardia lamblia	Cathepsin L precursor	0.0012	0.038	0.2149
Trypanosoma brucei	protein phosphatase 2C, putative	0.0005	0.0087	0.0083
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0007	0.0185	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1855	0.2587
Loa Loa (eye worm)	hypothetical protein	0.0012	0.038	0.119
Onchocerca volvulus	Cathepsin F homolog	0.0066	0.2543	0.3714
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0861	0.2698
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0082	0.3189	0.3186
Onchocerca volvulus		0.0066	0.2543	0.3714
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.2543	0.3211
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1855	0.2587
Echinococcus granulosus	geminin	0.018	0.7169	1
Echinococcus granulosus	cathepsin l1	0.0066	0.2543	0.3548
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Entamoeba histolytica	cysteine protease, putative	0.0012	0.038	0.0479
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0082	0.3189	0.6589
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0007	0.0185	0.1035
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1855	0.2587
Brugia malayi	fibroinase precursor	0.0012	0.038	0.0784
Echinococcus granulosus	cathepsin b	0.0012	0.038	0.0529
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.2543	0.3207
Entamoeba histolytica	cysteine protease, putative	0.0012	0.038	0.0479
Entamoeba histolytica	cysteine protease, putative	0.0066	0.2543	0.3211
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0082	0.3189	0.4023
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0087	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0012	0.038	0.0474
Plasmodium falciparum	serine repeat antigen 4	0.0012	0.038	0.0942
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0007	0.0185	0.0181
Loa Loa (eye worm)	protein phosphatase 2C containing protein	0.0038	0.1417	0.4444
Echinococcus granulosus	cathepsin L cysteine protease	0.0034	0.1257	0.1753
Plasmodium vivax	vivapain-1	0.0034	0.1257	0.3932
Toxoplasma gondii	cathepsin B	0.0012	0.038	0.0942
Echinococcus multilocularis	cyclin dependent kinase 9	0.0003	0.0004	0.0006
Echinococcus granulosus	protein phosphatase 1b	0.0038	0.1417	0.1977
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1855	0.5815
Schistosoma mansoni	protein phosphatase 2c gamma	0.0005	0.0087	0.0122
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0012	0.038	0.0479
Plasmodium vivax	vivapain-3	0.0034	0.1257	0.3932
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0066	0.2543	0.3548
Plasmodium vivax	vivapain-2	0.0066	0.2543	0.7972
Onchocerca volvulus		0.0066	0.2543	0.3714
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0066	0.2543	0.3548
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0044	0.1666	0.3442
Echinococcus granulosus	cyclin dependent kinase 9	0.0003	0.0004	0.0006
Echinococcus granulosus	cathepsin L	0.0012	0.038	0.0529
Trichomonas vaginalis	ap endonuclease, putative	0.0007	0.0185	0.0228
Giardia lamblia	Cathepsin B precursor	0.0012	0.038	0.2149
Toxoplasma gondii	exonuclease III APE	0.0007	0.0185	0.0316
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0007	0.0185	0.0316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0034	0.1257	0.1253
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0012	0.038	0.0529
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1666	0.5224
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0012	0.038	0.0375
Leishmania major	protein phosphatase 2C, putative	0.0005	0.0087	0.0083
Onchocerca volvulus		0.0026	0.0943	0.1294
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0012	0.038	0.2149
Brugia malayi	Cathepsin L-like precursor	0.0066	0.2543	0.5255
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0012	0.038	0.2149
Brugia malayi	cathepsin L-like cysteine proteinase	0.0012	0.038	0.0784
Echinococcus multilocularis	protein phosphatase 2C	0.0005	0.0087	0.0122
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Entamoeba histolytica	cysteine protease, putative	0.0012	0.038	0.0479
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.2543	0.3207
Giardia lamblia	Cathepsin L precursor	0.0012	0.038	0.2149
Entamoeba histolytica	cell division protein kinase 2, putative	0.0003	0.0004	0.0005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0251	1	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1257	0.1587
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.1257	0.2597
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.1257	0.1253
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0767	0.1585
Trichomonas vaginalis	ap endonuclease, putative	0.0007	0.0185	0.0228
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0082	0.3189	0.3186
Entamoeba histolytica	protein kinase domain containing protein	0.0003	0.0004	0.0005
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0003	0.0004	0.0013
Giardia lamblia	Cathepsin L precursor	0.0012	0.038	0.2149

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	> 40000 nM	Cytotoxicity against human U87 cells expressing CD4 and CXCR4	ChEMBL.	18052117
IC50 (functional)	= 580 nM	Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5 after 72 hrs by M33 pseudotyped assay	ChEMBL.	18052117

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: CHEMBL236780

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 447056