TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.415 | Formula: C20H22N4O
H donors: 2 H acceptors: 2 LogP: 2.49 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccc(cc1)N)C
InChi: 1S/C20H22N4O/c1-24(2)13-12-22-20(25)17-5-3-4-15-8-11-18(23-19(15)17)14-6-9-16(21)10-7-14/h3-11H,12-13,21H2,1-2H3,(H,22,25)
InChiKey: SQAUIHWMUSGZIY-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)	hypothetical protein	0.0034	0.0085	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0225	0.0222
Schistosoma mansoni	cpg binding protein	0.0032	0.0076	0.0073
Mycobacterium ulcerans	carboxylesterase, LipT	0.0352	0.1624	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0063	0.006
Echinococcus granulosus	chromobox protein 2	0.0023	0.0031	0.0028
Echinococcus multilocularis	zinc finger protein	0.0025	0.004	0.0037
Treponema pallidum	fructose-bisphosphate aldolase	0.0291	0.1327	0.5
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0147	0.063	0.0627
Loa Loa (eye worm)	hypothetical protein	0.005	0.0161	0.0141
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0092	0.0089
Loa Loa (eye worm)	hypothetical protein	0.007	0.0261	0.0242
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0023	0.0031	0.0028
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0026	0.0048	0.0077
Loa Loa (eye worm)	helicase	0.0023	0.0031	0.0011
Echinococcus multilocularis	para nitrobenzyl esterase	0.0352	0.1624	0.1621
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0063	0.006
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0077	0.0295	0.0292
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0213	0.021
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0188	0.072
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0352	0.1624	0.1621
Schistosoma mansoni	hypothetical protein	0.0407	0.1889	0.1887
Schistosoma mansoni	chromobox protein	0.0023	0.0031	0.0028
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0029	0.0063	0.0143
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2085	1	1
Onchocerca volvulus		0.0061	0.0217	0.0851
Brugia malayi	Protein cec-1.	0.0023	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0141	0.0138
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0023	0.0031	0.0028
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0029	0.0063	0.0143
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0077	0.0295	0.0292
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0188	0.072
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0029	0.0063	0.0143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0141	0.0138
Brugia malayi	acetyltransferase, GNAT family protein	0.0147	0.063	0.063
Echinococcus granulosus	acetylcholinesterase	0.2085	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0043	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0063	0.0042
Brugia malayi	Carboxylesterase family protein	0.0352	0.1624	0.1624
Trichomonas vaginalis	set domain proteins, putative	0.0474	0.2215	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0029	0.0063	0.0143
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0059	0.0039
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0147	0.063	0.0627
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0109	0.0106
Loa Loa (eye worm)	carboxylesterase	0.2085	1	1
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Loa Loa (eye worm)	carboxylesterase	0.0352	0.1624	0.1607
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0109	0.0106
Schistosoma mansoni	zinc finger protein	0.0025	0.004	0.0037
Schistosoma mansoni	hypothetical protein	0.0021	0.002	0.0017
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.0137	0.0134
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0109	0.0367
Schistosoma mansoni	bromodomain containing protein	0.0068	0.025	0.0247
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.0385	0.0382
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0083	0.0323	0.032
Schistosoma mansoni	BC026374 protein (S09 family)	0.0352	0.1624	0.1621
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0213	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0213	0.021
Plasmodium vivax	SET domain protein, putative	0.006	0.0213	1
Brugia malayi	Heterochromatin protein 1	0.0139	0.0595	0.0595
Giardia lamblia	Fructose-bisphosphate aldolase	0.0291	0.1327	1
Schistosoma mansoni	chromobox protein	0.0139	0.0595	0.0592
Echinococcus multilocularis	chromobox protein 1	0.0139	0.0595	0.0592
Brugia malayi	Pre-SET motif family protein	0.006	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0023	0.0031	0.0028
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0043	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0289	0.0287
Echinococcus granulosus	peregrin	0.0035	0.0091	0.0088
Schistosoma mansoni	cpg binding protein	0.0032	0.0076	0.0073
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Loa Loa (eye worm)	hypothetical protein	0.2085	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0058	0.0199	0.0196
Echinococcus multilocularis	peregrin	0.0035	0.0091	0.0088
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0327	0.1356
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0109	1
Echinococcus granulosus	cpg binding protein	0.0032	0.0076	0.0073
Echinococcus multilocularis	cpg binding protein	0.0032	0.0076	0.0073
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0063	0.1729
Echinococcus granulosus	carboxylesterase 5A	0.2085	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0043	0.1567
Loa Loa (eye worm)	heterochromatin protein 1	0.0139	0.0595	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Onchocerca volvulus		0.0083	0.0323	0.1336
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Echinococcus granulosus	para nitrobenzyl esterase	0.0352	0.1624	0.1621
Echinococcus granulosus	chromobox protein 1	0.0139	0.0595	0.0592
Brugia malayi	F/Y-rich N-terminus family protein	0.0022	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Onchocerca volvulus		0.0352	0.1624	0.7295
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0213	0.021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Brugia malayi	Bromodomain containing protein	0.0035	0.0091	0.0091
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0109	0.0106
Echinococcus multilocularis	Chromo domain	0.0023	0.0031	0.0028
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0141	0.0121
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.0608	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0085	0.0082
Echinococcus granulosus	Chromobox protein 3	0.0023	0.0031	0.0028
Onchocerca volvulus		0.0029	0.0059	0.0128
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.0137	0.0487
Echinococcus granulosus	chromobox protein 1	0.0139	0.0595	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0299	0.0279
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0084	0.0327	0.1356
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0043	0.1567
Loa Loa (eye worm)	carboxylesterase	0.0352	0.1624	0.1607
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0352	0.1624	0.7295
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0141	0.0138
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.0137	0.5855
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0352	0.1624	1
Brugia malayi	jmjC domain containing protein	0.0039	0.0109	0.0109
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0026	0.0048	0.0045
Echinococcus multilocularis	acetylcholinesterase	0.2085	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0352	0.1624	0.7295
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0352	0.1624	0.1621
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.0385	0.0382
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0026	0.0048	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0106	0.0086
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0078	0.0299	0.1225
Brugia malayi	Pre-SET motif family protein	0.0417	0.1936	0.1936
Brugia malayi	PHD-finger family protein	0.0029	0.0063	0.0063
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0161	0.0161
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0141	0.0138
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0023	0.0031	0.0028
Onchocerca volvulus		0.0352	0.1624	0.7295
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0217	0.0197
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0023	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0048	0.0077
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0043	0.5
Echinococcus granulosus	BC026374 protein S09 family	0.0352	0.1624	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0109	0.06
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0029	0.0063	0.0143
Echinococcus multilocularis	carboxylesterase 5A	0.2085	1	1
Loa Loa (eye worm)	acetyltransferase	0.0147	0.063	0.0611
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0291	0.1327	1
Brugia malayi	CHD4 protein	0.0026	0.0048	0.0048
Brugia malayi	Bromodomain containing protein	0.0042	0.0122	0.0122
Trichomonas vaginalis	chromobox protein, putative	0.0139	0.0595	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0023	0.0031	0.0031
Brugia malayi	chromobox protein homolog 3	0.0078	0.0299	0.0299
Schistosoma mansoni	chromobox protein	0.0139	0.0595	0.0592
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0291	0.1327	1
Brugia malayi	SET domain containing protein	0.0026	0.0045	0.0045
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Loa Loa (eye worm)	hypothetical protein	0.005	0.0164	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0161	0.0161
Onchocerca volvulus	Alhambra homolog	0.0029	0.0063	0.0144
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0141	0.0138
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.0222	1
Brugia malayi	hypothetical protein	0.0023	0.0031	0.0031
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0037	0.0034
Brugia malayi	Carboxylesterase family protein	0.0352	0.1624	0.1624
Brugia malayi	PHD-finger family protein	0.003	0.0066	0.0066
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0118	0.0115
Echinococcus multilocularis	Chromobox protein 3	0.0023	0.0031	0.0028
Schistosoma mansoni	acetylcholinesterase	0.0352	0.1624	0.1621
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0213	0.021
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.0233	0.023
Onchocerca volvulus		0.0023	0.0031	0.000000055379
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0352	0.1624	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0213	0.021
Echinococcus granulosus	Chromo domain	0.0023	0.0031	0.0028
Trichomonas vaginalis	chromobox protein, putative	0.0139	0.0595	0.2581
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0352	0.1624	0.1621
Echinococcus granulosus	zinc finger protein	0.0025	0.004	0.0037
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.0137	0.5572
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0023	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0295	0.0275
Schistosoma mansoni	cpg binding protein	0.0029	0.0059	0.0056
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0352	0.1624	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0352	0.1624	0.1607
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0063	0.006
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0059	0.0059
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0094	0.0091
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0019	0.0012	0.0009
Echinococcus multilocularis	chromobox protein 2	0.0023	0.0031	0.0028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0141	0.0138
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0213	0.9542
Echinococcus granulosus	neuroligin	0.0352	0.1624	0.1621
Brugia malayi	hypothetical protein	0.0025	0.0043	0.0043
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0109	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0063	0.0042
Loa Loa (eye worm)	acetylcholinesterase 1	0.2085	1	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0352	0.1624	1
Echinococcus multilocularis	dnaJ subfamily B	0.0407	0.1889	0.1887
Brugia malayi	Carboxylesterase family protein	0.2085	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0029	0.0063	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0031	0.0011
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0118	0.0115
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0352	0.1624	0.1621
Echinococcus granulosus	histone lysine methyltransferase setb	0.0077	0.0295	0.0292
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0094	0.0091
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0417	0.1936	0.192
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0352	0.1624	0.1621
Brugia malayi	Carboxylesterase family protein	0.0352	0.1624	0.1624
Echinococcus granulosus	acetylcholinesterase	0.2085	1	1
Schistosoma mansoni	hypothetical protein	0.0023	0.0031	0.0028
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0037	0.0034
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.0608	0.2799
Brugia malayi	Bromodomain containing protein	0.008	0.0307	0.0307
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0043	0.0672
Onchocerca volvulus		0.0352	0.1624	0.7295
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0063	0.1645
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0141	0.0141
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0063	0.1645
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0063	0.4034
Echinococcus multilocularis	acetylcholinesterase	0.2085	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0327	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0134	0.0114
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0137	0.0487
Echinococcus multilocularis	chromobox protein 1	0.0139	0.0595	0.0592
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.0233	0.023
Brugia malayi	M-phase phosphoprotein, mpp8	0.0023	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0151	0.0131
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0299	0.1225
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0043	0.0639
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0213	0.0194
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0299	0.1225
Loa Loa (eye worm)	CHromoDomain protein family member	0.0026	0.0048	0.0028
Brugia malayi	hypothetical protein	0.0352	0.1624	0.1624
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0085	0.0085
Onchocerca volvulus		0.0352	0.1624	0.7295
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.006	0.0213	0.9516
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.0608	0.2799
Brugia malayi	jmjC domain containing protein	0.0096	0.0385	0.0385
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0026	0.0046	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0043	0.0023
Echinococcus multilocularis	neuroligin	0.0352	0.1624	0.1621
Loa Loa (eye worm)	hypothetical protein	0.2085	1	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.014	0.0599	0.0596
Schistosoma mansoni	chromobox protein	0.0023	0.0031	0.0028
Echinococcus granulosus	dnaJ subfamily B	0.0407	0.1889	0.1887
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Onchocerca volvulus		0.0352	0.1624	0.7295
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0141	0.0138
Schistosoma mansoni	hypothetical protein	0.0029	0.0063	0.006
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0029	0.0063	0.0143
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0026	0.0048	0.0045
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0037	0.0034
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.0137	0.5572
Brugia malayi	Associated with TFs and helicases family protein	0.0023	0.0031	0.0031
Brugia malayi	Valyl-tRNA synthetase	0.0023	0.0031	0.0031
Schistosoma mansoni	gliotactin	0.0352	0.1624	0.1621
Brugia malayi	Carboxylesterase family protein	0.0352	0.1624	0.1624
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.1327	0.5937
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0161	0.0141
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0029	0.0063	0.0143
Onchocerca volvulus		0.0474	0.2215	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.0213	0.021
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0352	0.1624	0.1621
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0077	0.0295	0.0292

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 200 nM	Concentration to inhibit growth of murine leukemia cells in culture by 50%.	ChEMBL.	2913299
IC50 (functional)	= 200 nM	Concentration to inhibit growth of murine leukemia cells in culture by 50%.	ChEMBL.	2913299
ILS (functional)	= 28	Percentage increase in lifespan of mice treated at 100 mg/kg/day on days 1, 5, 9 after intravenous inoculation of P388 leukemia cells	ChEMBL.	2913299
ILS (functional)	= 59	Percentage increase in lifespan of mice treated at 150 mg/kg/day on days 5, 9, 13 after intravenous inoculation of lewis lung carcinoma cells	ChEMBL.	2913299
Log K (binding)	= 6.42	Binding constant to poly[d(A-T)] by ethidium bromide displacement	ChEMBL.	2913299
Log K (binding)	= 6.96	Binding constant to poly[d(G-C)] by ethidium bromide displacement	ChEMBL.	2913299

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	2913299

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

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

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 225512