TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 481.61 | Formula: C25H31N5O3S
H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCn1nc2c3c1ccc(c3sc1c2cc(OC)cc1)NCCN1CCOC1=O)CC
InChi: 1S/C25H31N5O3S/c1-4-28(5-2)12-13-30-20-8-7-19(26-10-11-29-14-15-33-25(29)31)24-22(20)23(27-30)18-16-17(32-3)6-9-21(18)34-24/h6-9,16,26H,4-5,10-15H2,1-3H3
InChiKey: HXRDUTLMMNRZOC-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
Loa Loa (eye worm)	reprolysin	0.0044	0.0202	0.0413
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.005	0.0246	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0042	0.0085
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.005	0.0246	0.0246
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0668	0.505	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0059	0.012
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.005	0.0246	0.0457
Onchocerca volvulus		0.005	0.0246	1
Echinococcus multilocularis	adam	0.0058	0.0308	0.0609
Brugia malayi	aspartic protease BmAsp-2, identical	0.0034	0.012	0.0246
Schistosoma mansoni	hypothetical protein	0.0053	0.0272	0.0272
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0053	0.0272	0.0272
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0053	0.0272	0.0538
Brugia malayi	proprotein convertase 2	0.005	0.0246	0.0503
Schistosoma mansoni	ribonucleoside-diphosphate reductase alpha subunit	0.0647	0.4885	0.4885
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.005	0.0246	0.0246
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Mycobacterium leprae	conserved hypothetical protein	0.0048	0.023	0.002
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0138	0.0931	0.1837
Mycobacterium leprae	RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN)	0.0599	0.4513	1
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein)	0.0138	0.0931	0.199
Schistosoma mansoni	apoptosis regulator bax	0.0053	0.0272	0.0272
Schistosoma mansoni	hypothetical protein	0.0053	0.0272	0.0272
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0034	0.012	0.0176
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)	0.0599	0.4513	1
Trichomonas vaginalis	ribonucleoside-diphosphate reductase alpha chain, putative	0.0599	0.4513	1
Brugia malayi	hypothetical protein	0.0034	0.012	0.0246
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.005	0.0246	0.0422
Echinococcus multilocularis	ribonucleoside diphosphate reductase subunit	0.0138	0.0931	0.1844
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0053	0.0272	0.0557
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1837
Schistosoma mansoni	memapsin-2 (A01 family)	0.0841	0.6399	0.6399
Loa Loa (eye worm)	subtilase	0.005	0.0246	0.0503
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0058	0.0308	0.0308
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1837
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0202	0.0413
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Plasmodium falciparum	plasmepsin VIII, putative	0.0034	0.012	0.0146
Plasmodium falciparum	subtilisin-like protease 2	0.005	0.0246	0.038
Toxoplasma gondii	aspartyl protease ASP3	0.0034	0.012	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0034	0.012	0.0246
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1837
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.005	0.0246	0.0058
Echinococcus multilocularis	disks large 3	0.0024	0.0041	0.0082
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0034	0.012	0.0238
Plasmodium vivax	aspartyl protease, putative	0.0034	0.012	0.0146
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.005	0.0246	0.0246
Echinococcus multilocularis	neuroendocrine convertase 2	0.005	0.0246	0.0487
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0026	0.0059	0.012
Schistosoma mansoni	cathepsin D (A01 family)	0.0034	0.012	0.012
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.005	0.0246	0.0487
Brugia malayi	angiogenesis inhibito	0.0026	0.0059	0.012
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0246	0.0457
Echinococcus granulosus	ribonucleoside diphosphate reductase subunit	0.0138	0.0931	0.1844
Brugia malayi	Subtilase family protein	0.005	0.0246	0.0503
Echinococcus granulosus	membrane bound transcription factor site 1	0.005	0.0246	0.0487
Brugia malayi	celfurPC protein	0.005	0.0246	0.0503
Plasmodium vivax	subtilisin-like serine protease, putative	0.005	0.0246	0.038
Plasmodium falciparum	plasmepsin III	0.0034	0.012	0.0146
Loa Loa (eye worm)	apoptosis regulator protein	0.0053	0.0272	0.0557
Toxoplasma gondii	subtilisin SUB7	0.005	0.0246	0.038
Plasmodium falciparum	plasmepsin VI	0.0034	0.012	0.0146
Toxoplasma gondii	subtilisin SUB1	0.0716	0.5422	1
Plasmodium falciparum	subtilisin-like protease 1	0.0716	0.5422	1
Treponema pallidum	ribonucleotide-diphosphate reductase subunit alpha	0.0647	0.4885	1
Loa Loa (eye worm)	guanylate kinase	0.002	0.001	0.002
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.005	0.0246	0.0058
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0647	0.4885	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Toxoplasma gondii	ribonucleoside-diphosphate reductase large chain	0.0647	0.4885	0.9003
Brugia malayi	eukaryotic initiation factor 4A	0.0024	0.0042	0.0085
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0024	0.0042	0.0042
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.005	0.0246	0.0422
Brugia malayi	neuroendocrine convertase 1 precursor	0.005	0.0246	0.0503
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0053	0.0272	0.0538
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Brugia malayi	ADAMTS-like protease	0.0026	0.0059	0.012
Loa Loa (eye worm)	aspartyl protease 6	0.0034	0.012	0.0246
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0138	0.0931	0.1837
Schistosoma mansoni	ribonucleoside-diphosphate reductase small chain	0.0138	0.0931	0.0931
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0668	0.505	1
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1837
Mycobacterium ulcerans	ribonucleotide-diphosphate reductase subunit alpha	0.0599	0.4513	1
Brugia malayi	ribonucleotide reductase 2	0.0138	0.0931	0.1906
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Plasmodium vivax	subtilisin-like protease 1	0.0716	0.5422	1
Echinococcus granulosus	neuroendocrine convertase 2	0.005	0.0246	0.0487
Loa Loa (eye worm)	ribonucleotide reductase M2 B	0.0138	0.0931	0.1906
Mycobacterium ulcerans	transcriptional regulator NrdR	0.0048	0.023	0.002
Schistosoma mansoni	hypothetical protein	0.0053	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.005	0.0246	0.0503
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.005	0.0246	0.0422
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0092	0.0573	0.1134
Wolbachia endosymbiont of Brugia malayi	ribonucleotide-diphosphate reductase subunit alpha	0.0599	0.4513	1
Schistosoma mansoni	site-1 peptidase (S08 family)	0.005	0.0246	0.0246
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Toxoplasma gondii	subtilisin SUB4	0.005	0.0246	0.038
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0024	0.0042	0.0082
Leishmania major	ribonucleoside-diphosphate reductase large chain, putative	0.0647	0.4885	1
Brugia malayi	Reprolysin	0.0026	0.0059	0.012
Echinococcus multilocularis	ribonucleoside diphosphate reductase large	0.0647	0.4885	0.9673
Plasmodium vivax	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1654
Brugia malayi	Pepsin A precursor	0.0034	0.012	0.0246
Echinococcus multilocularis	Furin 1	0.005	0.0246	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0059	0.012
Plasmodium vivax	plasmepsin IV, putative	0.0034	0.012	0.0146
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0034	0.012	0.0146
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0024	0.0042	0.0082
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0237	0.1701	0.1701
Plasmodium falciparum	plasmepsin V	0.0034	0.012	0.0146
Toxoplasma gondii	subtilisin SUB2	0.005	0.0246	0.038
Toxoplasma gondii	subtilisin SUB10	0.005	0.0246	0.038
Schistosoma mansoni	hypothetical protein	0.0092	0.0575	0.0575
Plasmodium vivax	aspartyl protease, putative	0.0034	0.012	0.0146
Onchocerca volvulus		0.0034	0.012	0.384
Schistosoma mansoni	cathepsin D (A01 family)	0.0034	0.012	0.012
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.005	0.0246	0.0058
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.005	0.0246	0.0503
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0047	0.0221	0.0371
Plasmodium vivax	aspartyl proteinase, putative	0.0034	0.012	0.0146
Plasmodium falciparum	plasmepsin VII	0.0034	0.012	0.0146
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain)	0.0138	0.0931	0.199
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.005	0.0246	0.0058
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0044	0.0202	0.0202
Plasmodium falciparum	ribonucleoside-diphosphate reductase large subunit, putative	0.0647	0.4885	0.9003
Toxoplasma gondii	subtilisin SUB5	0.005	0.0246	0.038
Brugia malayi	Guanylate kinase family protein	0.0026	0.006	0.0123
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0034	0.012	0.0246
Echinococcus multilocularis		0.005	0.0246	0.0487
Loa Loa (eye worm)	proprotein convertase 2	0.005	0.0246	0.0503
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0024	0.0042	0.5
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.005	0.0246	0.0487
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.005	0.0246	0.0503
Trypanosoma brucei	ribonucleoside-diphosphate reductase large chain	0.0647	0.4885	1
Toxoplasma gondii	aspartyl protease ASP1	0.0034	0.012	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0034	0.012	0.0246
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0246	0.0457
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0184	0.1285	0.2568
Toxoplasma gondii	subtilisin SUB11	0.005	0.0246	0.038
Trypanosoma cruzi	subtilisin peptidase	0.005	0.0246	0.0422
Echinococcus multilocularis	kelch ECH associated protein 1	0.0092	0.0573	0.1134
Brugia malayi	aspartic protease BmAsp-1, identical	0.0034	0.012	0.0246
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0138	0.0931	0.1837
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trypanosoma brucei	subtilisin peptidase	0.005	0.0246	0.0422
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.005	0.0246	0.0487
Loa Loa (eye worm)	endoprotease bli-4	0.005	0.0246	0.0503
Onchocerca volvulus		0.0034	0.012	0.384
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0024	0.0042	0.0082
Plasmodium falciparum	plasmepsin II	0.0034	0.012	0.0146
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0034	0.012	0.0246
Echinococcus multilocularis	membrane bound transcription factor site 1	0.005	0.0246	0.0487
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Echinococcus granulosus	adam	0.0058	0.0308	0.0609
Toxoplasma gondii	subtilisin SUB6	0.005	0.0246	0.038
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0034	0.012	0.0238
Plasmodium falciparum	plasmepsin IV	0.0034	0.012	0.0146
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0044	0.0202	0.0399
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0024	0.0042	0.0042
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.005	0.0246	0.0058
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Mycobacterium tuberculosis	Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase)	0.0215	0.1531	0.3331
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Plasmodium vivax	ribonucleoside-diphosphate reductase large chain, putative	0.0647	0.4885	0.9003
Plasmodium falciparum	plasmepsin IX	0.0034	0.012	0.0146
Treponema pallidum	ribonucleotide-diphosphate reductase subunit beta	0.0138	0.0931	0.1837
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0272	0.0557
Loa Loa (eye worm)	ribonucleoside-diphosphate reductase large subunit	0.0647	0.4885	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Schistosoma mansoni	cell polarity protein	0.0024	0.0041	0.0041
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0246	0.0457
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0246	0.0457
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0034	0.012	0.0146
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0044	0.0202	0.0202
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Plasmodium vivax	ribonucleotide reductase small subunit, putative	0.0047	0.0221	0.0334
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	0.0022	0.0031	0.0064
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.005	0.0246	0.0422
Brugia malayi	hypothetical protein	0.0058	0.0308	0.063
Mycobacterium tuberculosis	Probable transcriptional regulatory protein NrdR	0.0048	0.023	0.0422
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit beta	0.0138	0.0931	0.1506
Brugia malayi	hypothetical protein	0.0034	0.012	0.0246
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Toxoplasma gondii	aspartyl protease	0.0034	0.012	0.0146
Mycobacterium leprae	Possible secreted protease	0.005	0.0246	0.0058
Echinococcus granulosus	ribonucleoside diphosphate reductase large	0.0647	0.4885	0.9673
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0092	0.0573	0.1134
Echinococcus granulosus	Furin 1	0.005	0.0246	0.0487
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1837
Brugia malayi	endoprotease bli-4 precursor	0.005	0.0246	0.0503
Plasmodium falciparum	ribonucleoside-diphosphate reductase small chain, putative	0.0047	0.0221	0.0334
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0034	0.012	0.0246
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.005	0.0246	0.0457
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0024	0.0042	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0246	0.0457
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Toxoplasma gondii	subtilisin SUB9	0.005	0.0246	0.038
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.005	0.0246	0.0487
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.005	0.0246	0.0246
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.005	0.0246	0.0457
Plasmodium falciparum	ribonucleoside-diphosphate reductase small chain, putative	0.0138	0.0931	0.1654
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0034	0.012	0.0246
Schistosoma mansoni	furin-1 (S08 family)	0.005	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.005	0.0246	0.0503
Toxoplasma gondii	subtilisin SUB12	0.005	0.0246	0.038
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Echinococcus granulosus	furin	0.005	0.0246	0.0487
Toxoplasma gondii	subtilisin SUB8	0.005	0.0246	0.038
Leishmania major	subtilisin-like serine peptidase	0.005	0.0246	0.0422
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Echinococcus multilocularis	Kelch repeat type 1	0.0092	0.0575	0.1138
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0044	0.0202	0.0399
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Brugia malayi	ribonucleoside-diphosphate reductase large chain, putative	0.0647	0.4885	1
Plasmodium falciparum	plasmepsin X	0.0034	0.012	0.0146
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Plasmodium vivax	plasmepsin V, putative	0.0034	0.012	0.0146
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit alpha	0.0647	0.4885	1
Echinococcus granulosus	disks large 3	0.0024	0.0041	0.0082
Plasmodium falciparum	plasmepsin I	0.0034	0.012	0.0146
Plasmodium vivax	aspartyl proteinase, putative	0.0034	0.012	0.0146
Echinococcus granulosus	kelch ECH associated protein 1	0.0092	0.0573	0.1134
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Echinococcus multilocularis	kelch ECH associated protein 1	0.0092	0.0573	0.1134
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.005	0.0246	0.0457
Plasmodium falciparum	subtilisin-like protease 3	0.005	0.0246	0.038
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0034	0.012	0.012
Schistosoma mansoni	site-1 peptidase (S08 family)	0.005	0.0246	0.0246
Plasmodium vivax	aspartyl protease, putative	0.0034	0.012	0.0146
Toxoplasma gondii	ribonucleoside-diphosphate reductase small subunit	0.0138	0.0931	0.1654
Plasmodium vivax	subtilisin-like protease 2, putative	0.005	0.0246	0.038
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0024	0.0042	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Dose (functional)	= 100 mg kg-1	In vivo for the optimal dose for activity against P388 leukemia per injection	ChEMBL.	3397990
IC50 (functional)	0 M	In vitro for its inhibitory activity against murine L1210 leukemia; Inactive	ChEMBL.	3397990
Net log cell kill (ADMET)	= 6	Net log value of the compound for P388 leukemia cell kill in mice was determined	ChEMBL.	3397990
T/C (functional)	= 220 %	Percentage ratio of treated animals to cured animals against P388 leukemia (day 30 surv)	ChEMBL.	3397990

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

PubChem: 13689066

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 53761