TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 702.898 | Formula: C41H55FN4O5
H donors: 1 H acceptors: 2 LogP: 5.71 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc2c(cc1OCCCN1CCN(CC1)CCCOc1ccc3c(c1)CC[C@@H]1[C@@H]3CC[C@]3([C@H]1CC[C@@H]3O)C)N=C[C@H]1N(C2=O)C[C@@H](C1)F
InChi: 1S/C41H55FN4O5/c1-41-12-11-32-31-8-6-30(21-27(31)5-7-33(32)35(41)9-10-39(41)47)50-19-3-13-44-15-17-45(18-16-44)14-4-20-51-38-24-36-34(23-37(38)49-2)40(48)46-26-28(42)22-29(46)25-43-36/h6,8,21,23-25,28-29,32-33,35,39,47H,3-5,7,9-20,22,26H2,1-2H3/t28-,29+,32-,33-,35+,39+,41+/m1/s1
InChiKey: OODDZBBWARQOSL-MXROCILFSA-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
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0035	0.0002	0.000000000067955
Schistosoma mansoni	cpg binding protein	0.0155	0.025	0.025
Brugia malayi	SPRY domain containing protein	0.004	0.0013	0.0018
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Onchocerca volvulus		0.0298	0.0545	0.9976
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0169	0.0279	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0765	0.1509	0.3988
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0046	0.0066
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.1866	0.378	0.378
Loa Loa (eye worm)	histone methyltransferase	0.0048	0.0029	0.0041
Plasmodium vivax	subtilisin-like serine protease, putative	0.0169	0.0279	0.554
Toxoplasma gondii	microneme protein MIC4	0.0054	0.0041	0.0335
Onchocerca volvulus		0.0075	0.0085	0.1554
Echinococcus granulosus	rho-associated protein kinase 1	0.0299	0.0546	0.0546
Echinococcus granulosus	epidermal growth factor receptor	0.0492	0.0944	0.0944
Trichomonas vaginalis	conserved hypothetical protein	0.0169	0.0279	0.0732
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1044	0.2084	0.5509
Echinococcus granulosus	protein will die slowly	0.0132	0.0202	0.0202
Toxoplasma gondii	hypothetical protein	0.0054	0.0041	0.0335
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1866	0.378	1
Echinococcus multilocularis	wd40 repeat	0.0069	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0073	0.008	0.0114
Echinococcus granulosus	membrane bound transcription factor site 1	0.0169	0.0279	0.0279
Brugia malayi	celfurPC protein	0.2653	0.5403	0.7738
Echinococcus multilocularis	set1:ash2 histone methyltransferase complex	0.004	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0592	0.115	0.1648
Echinococcus granulosus	furin	0.3418	0.6983	0.6983
Toxoplasma gondii	kringle domain-containing protein	0.0273	0.0493	0.4011
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Schistosoma mansoni	hypothetical protein	0.0273	0.0493	0.0493
Onchocerca volvulus		0.0054	0.0041	0.0755
Brugia malayi	Calcium binding EGF domain containing protein	0.0056	0.0046	0.0066
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0278	0.0504	0.0504
Toxoplasma gondii	SPRY domain-containing protein	0.0037	0.0006	0.0048
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Toxoplasma gondii	subtilisin SUB5	0.0169	0.0279	0.2267
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0875	0.1735	0.4585
Echinococcus granulosus	neuroendocrine convertase 2	0.2596	0.5286	0.5286
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0039	0.0009	0.0009
Trichomonas vaginalis	hypothetical protein	0.0765	0.1509	0.3988
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0039	0.0009	0.0009
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0075	0.0085	0.0085
Onchocerca volvulus		0.0273	0.0493	0.9026
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0169	0.0279	1
Toxoplasma gondii	subtilisin SUB9	0.0169	0.0279	0.2267
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0169	0.0279	0.0399
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Onchocerca volvulus		0.0054	0.0041	0.0755
Onchocerca volvulus		0.0054	0.0041	0.0755
Schistosoma mansoni	serine/threonine protein kinase	0.0299	0.0546	0.0546
Toxoplasma gondii	microneme protein MIC17C	0.0054	0.0041	0.0335
Giardia lamblia	Furin precursor putative serine protease	0.0875	0.1735	0.9367
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0035	0.0002	0.000000000067955
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Loa Loa (eye worm)	endoprotease bli-4	0.3418	0.6983	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0073	0.008	0.0114
Loa Loa (eye worm)	PAN domain-containing protein	0.0054	0.0041	0.0059
Loa Loa (eye worm)	PAN domain-containing protein	0.0054	0.0041	0.0059
Toxoplasma gondii	PAN domain-containing protein	0.063	0.1229	1
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Onchocerca volvulus		0.0054	0.0041	0.0755
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Toxoplasma gondii	subtilisin SUB1	0.0169	0.0279	0.2267
Loa Loa (eye worm)	PAN domain-containing protein	0.0054	0.0041	0.0059
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Schistosoma mansoni	trithorax protein ash2	0.004	0.0013	0.0013
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0169	0.0279	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0169	0.0279	0.0279
Giardia lamblia	High cysteine membrane protein Group 2	0.0932	0.1852	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0048	0.0029	0.0029
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Echinococcus multilocularis		0.2653	0.5403	0.5403
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0035	0.0002	0.000000000067955
Brugia malayi	Subtilase family protein	0.0169	0.0279	0.0399
Toxoplasma gondii	PAN domain-containing protein	0.0054	0.0041	0.0335
Toxoplasma gondii	microneme protein MIC17A	0.0054	0.0041	0.0335
Toxoplasma gondii	microneme protein MIC17B	0.0054	0.0041	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0063	0.006	0.0086
Loa Loa (eye worm)	trypsin family protein	0.0075	0.0085	0.0122
Brugia malayi	Cytochrome P450 family protein	0.0044	0.002	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Mycobacterium leprae	Possible secreted protease	0.0169	0.0279	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.007	0.0179
Plasmodium falciparum	subtilisin-like protease 2	0.0169	0.0279	0.554
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0169	0.0279	0.0279
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0073	0.008	0.008
Schistosoma mansoni	egf-like domain protein	0.0056	0.0046	0.0046
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0029	0.0042
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Onchocerca volvulus		0.0054	0.0041	0.0755
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0056	0.0046	0.0066
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Echinococcus multilocularis	Furin 1	0.1044	0.2084	0.2084
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0056	0.0046	0.0373
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0169	0.0279	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Echinococcus granulosus	transmembrane protease serine 3	0.0075	0.0085	0.0085
Toxoplasma gondii	PAN domain-containing protein	0.063	0.1229	1
Schistosoma mansoni	hypothetical protein	0.0164	0.0268	0.0268
Schistosoma mansoni	hypothetical protein	0.0075	0.0085	0.0085
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.3418	0.6983	0.6983
Brugia malayi	Kringle domain containing protein	0.0273	0.0493	0.0706
Onchocerca volvulus		0.0075	0.0085	0.1554
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Echinococcus multilocularis	transmembrane protease serine 3	0.0075	0.0085	0.0085
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0169	0.0279	0.0279
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1044	0.2084	0.5509
Trichomonas vaginalis	conserved hypothetical protein	0.0169	0.0279	0.0732
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Toxoplasma gondii	subtilisin SUB11	0.0169	0.0279	0.2267
Loa Loa (eye worm)	SPRY domain-containing protein	0.0037	0.0006	0.0008
Onchocerca volvulus		0.0075	0.0085	0.1554
Trichomonas vaginalis	conserved hypothetical protein	0.0169	0.0279	0.0732
Onchocerca volvulus		0.0075	0.0085	0.1554
Echinococcus granulosus	wd40 repeat	0.0069	0.0073	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0054	0.0041	0.0335
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Toxoplasma gondii	microneme protein, putative	0.0054	0.0041	0.0335
Echinococcus granulosus	set1:ash2 histone methyltransferase complex	0.004	0.0013	0.0013
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0235	0.0416	0.0416
Brugia malayi	Will die slowly protein	0.0132	0.0202	0.0289
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0075	0.0085	0.0085
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.0093	0.0093
Loa Loa (eye worm)	subtilase	0.0169	0.0279	0.0399
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Loa Loa (eye worm)	hypothetical protein	0.1661	0.3358	0.4809
Brugia malayi	proprotein convertase 2	0.2596	0.5286	0.757
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.007	0.0179
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0056	0.0046	0.0066
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0035	0.0002	0.000000000067955
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0169	0.0279	0.0399
Loa Loa (eye worm)	PAN domain-containing protein	0.0054	0.0041	0.0059
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0169	0.0279	0.0279
Echinococcus multilocularis	protein will die slowly	0.0132	0.0202	0.0202
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.0504	0.1329
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1044	0.2084	0.5509
Echinococcus multilocularis	Tolloid protein 1	0.0056	0.0046	0.0046
Brugia malayi	Trypsin family protein	0.0075	0.0085	0.0122
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Plasmodium falciparum	subtilisin-like protease 1	0.0169	0.0279	0.554
Loa Loa (eye worm)	hypothetical protein	0.0273	0.0493	0.0706
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0046	0.0066
Brugia malayi	Protein kinase domain containing protein	0.0273	0.0493	0.0706
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0075	0.0085	0.0085
Schistosoma mansoni	retinoblastoma binding protein	0.0069	0.0073	0.0073
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0155	0.025	0.0358
Echinococcus multilocularis	fibrillin 1	0.0059	0.0051	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0155	0.0405
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Brugia malayi	Trypsin family protein	0.0075	0.0085	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0046	0.0066
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0039	0.0009	0.0009
Onchocerca volvulus		0.0054	0.0041	0.0755
Echinococcus granulosus	geminin	0.0164	0.0268	0.0268
Brugia malayi	Trypsin family protein	0.0075	0.0085	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0046	0.0066
Echinococcus multilocularis	glycoprotein Antigen 5	0.0235	0.0416	0.0416
Loa Loa (eye worm)	WD40 repeat protein	0.0132	0.0202	0.0289
Trichomonas vaginalis	conserved hypothetical protein	0.0169	0.0279	0.0732
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0013	0.0027
Brugia malayi	Fibulin-1 precursor	0.0056	0.0046	0.0066
Toxoplasma gondii	subtilisin SUB4	0.0169	0.0279	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0029	0.0042
Brugia malayi	Hypothetical WD-repeat protein F21H12.1 in chromosome II	0.0069	0.0073	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.0073	0.0186
Toxoplasma gondii	PAN domain-containing protein	0.0054	0.0041	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Echinococcus granulosus	cpg binding protein	0.0164	0.0268	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0085	0.0122
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0056	0.0046	0.0046
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0169	0.0279	0.0279
Toxoplasma gondii	subtilisin SUB12	0.0223	0.039	0.3174
Onchocerca volvulus		0.0109	0.0156	0.2849
Trichomonas vaginalis	conserved hypothetical protein	0.0169	0.0279	0.0732
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0013	0.0027
Onchocerca volvulus	Arrow homolog	0.0056	0.0046	0.084
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Schistosoma mansoni	tyrosine kinase	0.0492	0.0944	0.0944
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Loa Loa (eye worm)	SPRY domain-containing protein	0.004	0.0013	0.0018
Echinococcus multilocularis	enteropeptidase	0.0235	0.0416	0.0416
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Echinococcus granulosus	glycoprotein Antigen 5	0.0235	0.0416	0.0416
Schistosoma mansoni	hypothetical protein	0.0765	0.1509	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0073	0.0104
Toxoplasma gondii	hypothetical protein	0.0054	0.0041	0.0335
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Echinococcus granulosus	enteropeptidase	0.0235	0.0416	0.0416
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.1044	0.2084	0.2084
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0169	0.0279	1
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Leishmania major	hypothetical protein, conserved	0.0273	0.0493	1
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0279	0.0399
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0073	0.008	0.008
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0273	0.0493	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0273	0.0493	1
Onchocerca volvulus		0.0054	0.0041	0.0755
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0492	0.0944	0.1352
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.1866	0.378	0.378
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0054	0.0041	0.0335
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Trypanosoma brucei	subtilisin peptidase	0.0169	0.0279	0.5
Loa Loa (eye worm)	PAN domain-containing protein	0.0054	0.0041	0.0059
Trichomonas vaginalis	WD repeat domain, putative	0.0132	0.0202	0.0529
Onchocerca volvulus		0.0132	0.0202	0.3698
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0928	0.1845	0.2642
Brugia malayi	F/Y-rich N-terminus family protein	0.0047	0.0028	0.004
Onchocerca volvulus		0.0075	0.0085	0.1554
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0169	0.0279	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0035	0.0002	0.000000000067955
Schistosoma mansoni	hypothetical protein	0.0164	0.0268	0.0268
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0329	0.0609	0.0609
Plasmodium vivax	subtilisin-like protease 1	0.0169	0.0279	0.554
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0294	0.0537	0.4366
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0169	0.0279	0.0279
Brugia malayi	CXXC zinc finger family protein	0.0155	0.025	0.0358
Loa Loa (eye worm)	cytochrome P450 family protein	0.0044	0.002	0.0029
Toxoplasma gondii	subtilisin SUB2	0.0169	0.0279	0.2267
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1866	0.378	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0039	0.0009	0.0009
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0075	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0046	0.0066
Brugia malayi	Trypsin family protein	0.0075	0.0085	0.0122
Echinococcus multilocularis	Mastin	0.0235	0.0416	0.0416
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0035	0.0002	0.000000000067955
Loa Loa (eye worm)	hypothetical protein	0.3418	0.6983	1
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0056	0.0046	0.0373
Onchocerca volvulus		0.0054	0.0041	0.0755
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.0093	0.0093
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0035	0.0002	0.000000000067955
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0875	0.1735	0.4585
Trichomonas vaginalis	retinoblastoma binding protein, putative	0.0069	0.0073	0.0186
Onchocerca volvulus		0.0155	0.025	0.4578
Schistosoma mansoni	cpg binding protein	0.0164	0.0268	0.0268
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0029	0.0042
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Echinococcus multilocularis	geminin	0.0164	0.0268	0.0268
Onchocerca volvulus		0.0075	0.0085	0.1554
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0056	0.0046	0.0066
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0029	0.0042
Echinococcus granulosus	tissue type plasminogen activator	0.0273	0.0493	0.0493
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1044	0.2084	0.5509
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Brugia malayi	hypothetical protein	0.0075	0.0085	0.0122
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Plasmodium falciparum	subtilisin-like protease 3	0.0169	0.0279	0.554
Schistosoma mansoni	hypothetical protein	0.0132	0.0202	0.0202
Echinococcus granulosus	Furin 1	0.1044	0.2084	0.2084
Echinococcus granulosus	Tolloid protein 1	0.0056	0.0046	0.0046
Echinococcus multilocularis	rho associated protein kinase	0.0299	0.0546	0.0546
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1044	0.2084	0.5509
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Toxoplasma gondii	subtilisin SUB8	0.0169	0.0279	0.2267
Onchocerca volvulus		0.0299	0.0546	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0039	0.0009	0.0009
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Toxoplasma gondii	subtilisin SUB10	0.0169	0.0279	0.2267
Toxoplasma gondii	PAN domain-containing protein	0.0054	0.0041	0.0335
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Brugia malayi	neuroendocrine convertase 1 precursor	0.3078	0.6281	0.8995
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0075	0.0085	0.0085
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Brugia malayi	endoprotease bli-4 precursor	0.3418	0.6983	1
Onchocerca volvulus		0.0169	0.0279	0.5102
Echinococcus multilocularis	neuroendocrine convertase 2	0.2596	0.5286	0.5286
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0035	0.0002	0.000000000067955
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0169	0.0279	0.5
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0169	0.0279	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0169	0.0279	0.0732
Schistosoma mansoni	hypothetical protein	0.0075	0.0085	0.0085
Echinococcus multilocularis	cpg binding protein	0.0164	0.0268	0.0268
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0075	0.0085	0.0122
Brugia malayi	Trypsin-like protease protein 5	0.0075	0.0085	0.0122
Loa Loa (eye worm)	TK/ROR protein kinase	0.0273	0.0493	0.0706
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0006	0.001
Onchocerca volvulus		0.0054	0.0041	0.0755
Plasmodium vivax	subtilisin-like protease 2, putative	0.0169	0.0279	0.554
Toxoplasma gondii	PAN domain-containing protein	0.0054	0.0041	0.0335
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0056	0.0046	0.0066
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0048	0.0029	0.0029
Trichomonas vaginalis	conserved hypothetical protein	0.0765	0.1509	0.3988
Brugia malayi	Protein kinase domain containing protein	0.0928	0.1845	0.2642
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0169	0.0279	0.5
Onchocerca volvulus		0.0054	0.0041	0.0755
Toxoplasma gondii	subtilisin SUB6	0.0169	0.0279	0.2267
Brugia malayi	Furin-like cysteine rich region family protein	0.0492	0.0944	0.1352
Echinococcus multilocularis	epidermal growth factor receptor	0.0492	0.0944	0.0944
Echinococcus multilocularis	tissue type plasminogen activator	0.0273	0.0493	0.0493
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0169	0.0279	1
Toxoplasma gondii	subtilisin SUB7	0.0169	0.0279	0.2267
Plasmodium falciparum	cysteine repeat modular protein 1	0.0273	0.0493	1
Echinococcus multilocularis	laminin	0.0056	0.0046	0.0046
Onchocerca volvulus		0.0054	0.0041	0.0755
Loa Loa (eye worm)	proprotein convertase 2	0.1044	0.2084	0.2984
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1044	0.2084	0.5509
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0041	0.0059
Brugia malayi	PAN domain containing protein	0.0054	0.0041	0.0059
Schistosoma mansoni	cercarial elastase (S01 family)	0.0075	0.0085	0.0085
Echinococcus granulosus	laminin	0.0056	0.0046	0.0046
Schistosoma mansoni	cpg binding protein	0.0164	0.0268	0.0268
Schistosoma mansoni	furin-1 (S08 family)	0.1721	0.3481	0.3481
Echinococcus granulosus	Mastin	0.0235	0.0416	0.0416

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0.87 %	Cell cycle arrest in human MCF7 cells assessed as accumulation at G0 phase using propidium iodide staining at 4 uM after 24 hrs by flow cytometry	ChEMBL.	21459581
Activity (functional)	= 24.01 %	Cell cycle arrest in human MCF7 cells assessed as accumulation at S phase using propidium iodide staining at 4 uM after 24 hrs by flow cytometry	ChEMBL.	21459581
Activity (functional)	= 24.33 %	Cell cycle arrest in human MCF7 cells assessed as accumulation at G2/M phase using propidium iodide staining at 4 uM after 24 hrs by flow cytometry	ChEMBL.	21459581
Activity (functional)	= 50.53 %	Cell cycle arrest in human MCF7 cells assessed as accumulation at G1 phase using propidium iodide staining at 4 uM after 24 hrs by flow cytometry	ChEMBL.	21459581
GI50 (functional)	< 0.1 uM	Cytotoxicity against human ZR-75-1 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	< 0.1 uM	Cytotoxicity against human A549 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	< 0.1 uM	Cytotoxicity against human A2780 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	< 0.1 uM	Cytotoxicity against human MCF7 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	< 0.1 uM	Cytotoxicity against human PC3 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	= 0.11 uM	Cytotoxicity against human HOP62 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	= 0.12 uM	Cytotoxicity against human KB cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	= 0.13 uM	Cytotoxicity against human COLO205 cells by sulforhodamine B method	ChEMBL.	21459581
GI50 (functional)	= 0.15 uM	Cytotoxicity against human SiHa cells by sulforhodamine B method	ChEMBL.	21459581

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: CHEMBL1765693

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1512415