TDR Targets

Basic information

Technical information

TDR Targets ID: 57088
Name: (4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimeth ylcyclohexen-1-yl)undeca-4,6,8,10-tetraen-3-o ne
MW: 312.489 | Formula: C22H32O
H donors: 0 H acceptors: 1 LogP: 6.56 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
InChi: 1S/C22H32O/c1-7-20(23)16-18(3)11-8-10-17(2)13-14-21-19(4)12-9-15-22(21,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3/b11-8+,14-13+,17-10+,18-16+
InChiKey: ZYGSSQJMFRUBSR-NBIQJRODSA-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

(4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethyl-1-cyclohexenyl)-3-undeca-4,6,8,10-tetraenone
(4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethyl-1-cyclohexenyl)undeca-4,6,8,10-tetraen-3-one

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)	latrophilin receptor protein 2	0.0081	0.0409	0.2843
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0162	0.0165
Giardia lamblia	PHD finger protein 15	0.0028	0.0098	0.3508
Schistosoma mansoni	hypothetical protein	0.0015	0.0019	0.014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0021	0.0134
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0146	0.6132
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0102	0.053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0091	0.0658
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0178	0.1315
Schistosoma mansoni	chromobox protein	0.0069	0.0339	0.2524
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0143	0.1054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0091	0.0658
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0189
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.005	0.0224	0.1669
Brugia malayi	Protein kinase domain containing protein	0.0016	0.0025	0.0177
Toxoplasma gondii	isocitrate dehydrogenase	0.005	0.0224	0.022
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0044	0.0304
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0108	0.0564
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.011	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0183	0.0179
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0146	0.0149
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0143	0.6012
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0044	0.0326
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0098	0.0093
Schistosoma mansoni	hypothetical protein	0.0016	0.0025	0.0189
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.005	0.0224	0.0228
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.0751	0.0765
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0044	0.0304
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0081	0.0409	0.2125
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0197	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0094	0.0682
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0146	0.6643
Schistosoma mansoni	hypothetical protein	0.0081	0.0409	0.3041
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0159	0.0863	0.0879
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0081	0.0409	0.2125
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0044	0.0228
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0044	0.1108
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0108	0.011
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.005	0.0224	0.0228
Loa Loa (eye worm)	patched family protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	patched family protein	0.0012	0.0005	0.0033
Onchocerca volvulus		0.0016	0.0025	0.0156
Brugia malayi	Myosin head containing protein	0.0012	0.0005	0.0033
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0146	0.0758
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0339	0.2534
Schistosoma mansoni	hypothetical protein	0.0084	0.0425	0.316
Brugia malayi	hypothetical protein	0.0166	0.0903	0.6279
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.005	0.0224	0.0782
Echinococcus multilocularis	peregrin	0.0032	0.0121	0.0123
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0044	0.1606
Brugia malayi	isocitrate dehydrogenase	0.005	0.0224	0.1561
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.1159	0.8061
Schistosoma mansoni	hypothetical protein	0.0081	0.0409	0.3041
Leishmania major	DNA polymerase eta, putative	0.0019	0.0044	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0058	0.2254
Brugia malayi	Isocitrate dehydrogenase	0.005	0.0224	0.1561
Schistosoma mansoni	hypothetical protein	0.0176	0.0962	0.7153
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.0751	0.0765
Echinococcus multilocularis	Niemann Pick C1 protein	0.029	0.1633	0.1663
Onchocerca volvulus		0.0015	0.0019	0.0107
Schistosoma mansoni	hypothetical protein	0.0084	0.0425	0.316
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Schistosoma mansoni	hypothetical protein	0.0084	0.0425	0.316
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	Niemann-Pick C1 protein precursor	0.0203	0.1123	0.7807
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0162	0.0844
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0161	0.1185
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0197	0.1468
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Brugia malayi	protein C24B5.3	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.005	0.0224	0.1558
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0197	0.867
Brugia malayi	Muscle positioning protein 4	0.0015	0.0019	0.0131
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0146	0.0758
Brugia malayi	Ets-domain containing protein	0.0079	0.0398	0.2765
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0025	0.0177
Brugia malayi	jmjC domain containing protein	0.0092	0.0474	0.3293
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0339	0.0346
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0197	0.1026
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.0751	0.3904
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	TK/ALK protein kinase	0.0016	0.0025	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0161	0.1117
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Giardia lamblia	GTOR	0.0045	0.0197	1
Echinococcus granulosus	Niemann Pick C1 protein	0.029	0.1633	0.8489
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0044	0.0326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0104	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0019	0.0131
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.014	0.0143
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.1719	1	1
Schistosoma mansoni	hypothetical protein	0.0081	0.0409	0.3041
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0015	0.0021	0.056
Onchocerca volvulus		0.0015	0.0019	0.0107
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0146	0.1074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0076	0.0543
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0098	0.0727
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0224	0.1666
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0146	0.6132
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0108	0.0807
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0178	0.1308
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0178	0.1315
Brugia malayi	SET domain containing protein	0.0012	0.0006	0.0039
Echinococcus granulosus	expressed conserved protein	0.0191	0.105	0.546
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0044	0.0305
Brugia malayi	SEA domain containing protein	0.0015	0.0019	0.0131
Schistosoma mansoni	hypothetical protein	0.0164	0.0893	0.6639
Echinococcus granulosus	dna polymerase eta	0.0019	0.0044	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0044	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0019	0.0131
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0143	0.6012
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0197	0.867
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0015	0.0021	0.056
Brugia malayi	hypothetical protein	0.0012	0.0005	0.0033
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0098	0.0099
Brugia malayi	hypothetical protein	0.0035	0.014	0.0975
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0206	0.1141	0.8487
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.0206	0.1072
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0161	0.1185
Echinococcus granulosus	Protein patched homolog 1	0.0087	0.0443	0.2304
Entamoeba histolytica	hypothetical protein	0.0035	0.014	0.0893
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0339	0.0346
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0274	0.1903
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.1329	1
Brugia malayi	Heterochromatin protein 1	0.0069	0.0339	0.236
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0044	0.0326
Schistosoma mansoni	ets-related	0.0241	0.1344	1
Brugia malayi	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	PHD-finger family protein	0.0028	0.0098	0.068
Brugia malayi	MH2 domain containing protein	0.013	0.0695	0.4832
Brugia malayi	hypothetical protein	0.0012	0.0005	0.0033
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0044	0.0045
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0197	0.8745
Loa Loa (eye worm)	transcription factor SMAD2	0.013	0.0695	0.4832
Brugia malayi	Patched related family protein 10	0.0012	0.0005	0.0033
Onchocerca volvulus		0.005	0.0224	0.1657
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0015	0.0021	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0962	0.6688
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.1719	1	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0132	0.0985
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0132	0.0135
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0044	0.0305
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.1719	1	0.5
Loa Loa (eye worm)	isocitrate dehydrogenase	0.005	0.0224	0.1561
Brugia malayi	Patched related family protein 4	0.0012	0.0005	0.0033
Loa Loa (eye worm)	DOMON domain-containing protein	0.0015	0.0019	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0216	0.15
Echinococcus granulosus	tumor protein p63	0.034	0.1924	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Giardia lamblia	Histone acetyltransferase GCN5	0.0043	0.0183	0.9092
Brugia malayi	Patched protein homolog 1	0.0012	0.0005	0.0033
Entamoeba histolytica	hypothetical protein	0.0035	0.014	0.0893
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0197	0.1373
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0081	0.0409	0.0416
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0197	0.1463
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0089	0.0646
Brugia malayi	Bromodomain containing protein	0.0032	0.0121	0.0838
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0087	0.0443	0.3082
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0021	0.0134
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0143	0.6235
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0076	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.014	0.0751	0.5223
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0197	0.867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0076	0.0543
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.0751	0.5586
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0091	0.0658
Brugia malayi	acetyltransferase, GNAT family protein	0.0159	0.0863	0.6004
Echinococcus granulosus	MAM	0.0016	0.0025	0.0132
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0203	0.1123	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0197	0.1463
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.0206	0.0202
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0197	0.867
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0443	0.3082
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0044	0.0045
Echinococcus multilocularis	Niemann Pick C1 protein	0.0203	0.1123	0.1143
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0443	0.3318
Echinococcus granulosus	Niemann Pick C1 protein	0.0203	0.1123	0.5835
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0044	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0098	0.068
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0197	0.8745
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1438	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0098	0.0093
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.014	0.0729
Echinococcus granulosus	GPCR family 2	0.0081	0.0409	0.2125
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0044	0.1108
Onchocerca volvulus		0.0041	0.0175	0.1287
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0025	0.0177
Echinococcus multilocularis	protein dispatched 1	0.01	0.0515	0.0525
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0021	0.0149
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.005	0.0224	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.005	0.0224	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0339	0.236
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0044	0.0228
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0257	0.1438	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.0206	0.0202
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0098	0.0093
Loa Loa (eye worm)	acetyltransferase	0.0159	0.0863	0.6004
Echinococcus granulosus	chromobox protein 1	0.0069	0.0339	0.1764
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.005	0.0224	0.022
Loa Loa (eye worm)	fli-1 protein	0.0241	0.1344	0.935
Loa Loa (eye worm)	hypothetical protein	0.0068	0.033	0.2296
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0075	0.0541
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	0.0695	0.4832
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.0751	0.5586
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0146	0.1085
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0146	0.0945
Brugia malayi	jmjC domain containing protein	0.0034	0.0132	0.0921
Brugia malayi	hypothetical protein	0.0012	0.0005	0.0033
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Brugia malayi	chromobox protein homolog 3	0.0039	0.0161	0.1117
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0108	0.0807
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0257	0.1438	1
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.1719	1	1
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0021	0.0134
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0079	0.0398	0.2765
Onchocerca volvulus		0.0031	0.0111	0.0805
Echinococcus multilocularis	protein patched	0.0087	0.0443	0.0451
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0146	0.6348
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0146	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.014	0.0751	0.5223
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.1719	1	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0044	0.1108
Onchocerca volvulus	Alhambra homolog	0.0028	0.0098	0.0703
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Echinococcus multilocularis	sterol regulatory element binding protein	0.0087	0.0443	0.0451
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0092	0.0474	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0021	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Echinococcus granulosus	GA binding protein alpha chain	0.0079	0.0398	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.014	0.1043
Schistosoma mansoni	patched 1	0.0087	0.0443	0.3297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Echinococcus multilocularis	tumor protein p63	0.034	0.1924	0.1959
Echinococcus multilocularis	expressed conserved protein	0.0191	0.105	0.107
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0015	0.0021	0.0022
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0159	0.0863	0.6422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0021	0.0134
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0197	0.1423
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0081	0.0409	0.0416
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.005	0.0224	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0081	0.0409	0.2843
Echinococcus multilocularis	isocitrate dehydrogenase	0.005	0.0224	0.0228
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0044	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Entamoeba histolytica	hypothetical protein	0.0035	0.014	0.0893
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.1719	1	0.5
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0015	0.0021	0.0111
Brugia malayi	latrophilin 2 splice variant baaae	0.0176	0.0962	0.6688
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0558	0.3882
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0044	0.1108
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0076	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0903	0.6279
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0044	0.1606
Loa Loa (eye worm)	patched family protein	0.0012	0.0005	0.0033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.0751	0.3904
Echinococcus granulosus	peregrin	0.0032	0.0121	0.0626
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0043	0.1545
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0132	0.0689
Brugia malayi	Patched related family protein 12	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0025	0.0177
Entamoeba histolytica	hypothetical protein	0.0035	0.014	0.0893
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0132	0.0921
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0044	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0409	0.2843
Echinococcus multilocularis	GA binding protein alpha chain	0.0079	0.0398	0.0405
Trypanosoma brucei	unspecified product	0.0019	0.0044	0.1606
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.0206	0.153
Loa Loa (eye worm)	hypothetical protein	0.0203	0.1123	0.7807
Brugia malayi	hypothetical protein	0.0016	0.0025	0.0177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0075	0.0541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0075	0.0541
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1688	0.9821	1
Echinococcus granulosus	geminin	0.0164	0.0893	0.4639
Echinococcus multilocularis	GPCR, family 2	0.0081	0.0409	0.0416
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.013	0.0125
Onchocerca volvulus		0.0015	0.0019	0.0107
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Echinococcus granulosus	chromobox protein 1	0.0069	0.0339	0.1764
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0146	0.1014
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0044	0.1606
Onchocerca volvulus		0.0016	0.0025	0.0156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0143	0.1054
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0108	0.011
Brugia malayi	protein C24B5.3	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.005	0.0224	0.022
Echinococcus multilocularis	MAM	0.0016	0.0025	0.0026
Schistosoma mansoni	hypothetical protein	0.0035	0.014	0.1043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0197	0.1463
Loa Loa (eye worm)	patched family protein	0.0012	0.0005	0.0033
Plasmodium vivax	SET domain protein, putative	0.003	0.0108	0.0104
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0098	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0111	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.0206	0.0202
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0339	0.2534
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0089	0.0646
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.005	0.0224	1
Brugia malayi	Pre-SET motif family protein	0.0209	0.1159	0.8061
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0098	0.0508
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.005	0.0224	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0044	0.0305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0154	0.0837	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Schistosoma mansoni	hypothetical protein	0.0084	0.0425	0.316
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.005	0.0224	0.1166
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0146	0.6132
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.005	0.0224	0.0228
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0146	0.1085
Loa Loa (eye worm)	patched family protein	0.0012	0.0005	0.0033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.0751	0.5586
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.1719	1	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0183	0.1294
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0132	0.0985
Onchocerca volvulus		0.0015	0.0019	0.0107
Onchocerca volvulus		0.0166	0.0903	0.6785
Brugia malayi	Fli-1 protein	0.0241	0.1344	0.935
Schistosoma mansoni	chromobox protein	0.0069	0.0339	0.2524
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.0206	0.153
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0108	0.0807
Schistosoma mansoni	hypothetical protein	0.0164	0.0893	0.6639
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0044	0.1108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0021	0.0134
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0146	0.0149
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0044	0.0045
Toxoplasma gondii	isocitrate dehydrogenase	0.005	0.0224	0.022
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0146	0.1074
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0146	0.1074
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0159	0.117
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Schistosoma mansoni	hypothetical protein	0.0081	0.0409	0.3041
Brugia malayi	Ets-domain containing protein	0.0079	0.0398	0.2765
Brugia malayi	Latrophilin receptor protein 2	0.0081	0.0409	0.2843
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0257	0.1438	1
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0413	0.2354	1
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.0362	0.2695
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0146	0.0758
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0143	0.1054
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0092	0.0474	0.2461
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0161	0.1177
Onchocerca volvulus		0.0238	0.1329	1
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.1014
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0094	0.0682
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.013	0.095
Brugia malayi	Pre-SET motif family protein	0.003	0.0108	0.0754
Schistosoma mansoni	hypothetical protein	0.0028	0.0098	0.0727
Onchocerca volvulus		0.0015	0.0019	0.0107
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0197	0.1373
Schistosoma mansoni	gabp alpha	0.0079	0.0398	0.2957
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0044	0.1606
Echinococcus granulosus	sterol regulatory element binding protein	0.0087	0.0443	0.2304
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0098	0.068
Echinococcus multilocularis	geminin	0.0164	0.0893	0.0909
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0197	0.1423
Brugia malayi	CHE-14 protein	0.0087	0.0443	0.3082
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.003	0.0108	0.0754
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.005	0.0224	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0143	0.1054
Brugia malayi	Patched family protein	0.0012	0.0005	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0143	0.1054
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0175	0.1302
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0108	0.0104

Activities

Activity type	Activity value	Assay description	Source	Reference
-Log ED50 (functional)	= 9.3	Tested for anticancer activity against hamster tracheal cells	ChEMBL.	8496925
logP (ADMET)	= 8.12	Partition coefficient (logP)	ChEMBL.	8496925

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: CHEMBL41372
PubChem: 11301430

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 57088