TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.653 | Formula: C27H36N2OS
H donors: 0 H acceptors: 1 LogP: 7.51 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(CCCC)CCCOc1ccc(cc1)c1csc(n1)c1ccc(cc1)C
InChi: 1S/C27H36N2OS/c1-4-6-17-29(18-7-5-2)19-8-20-30-25-15-13-23(14-16-25)26-21-31-27(28-26)24-11-9-22(3)10-12-24/h9-16,21H,4-8,17-20H2,1-3H3
InChiKey: OORTVZFHWYGTKD-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
Schistosoma mansoni	inositol monophosphatase	0.0075	0.029	0.0362
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0025	0.0008
Schistosoma mansoni	inositol monophosphatase	0.0075	0.029	0.0362
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0041	0.0081	0.0449
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0058	0.0185	0.0166
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0041	0.0081	0.0449
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.005	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0457	0.2029
Loa Loa (eye worm)	hypothetical protein	0.0386	0.2224	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0041	0.0081	0.0259
Loa Loa (eye worm)	beta-lactamase	0.0036	0.005	0.0192
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.012	0.0101
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0041	0.0081	0.0449
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0135	0.0668	0.065
Plasmodium vivax	thymidylate kinase, putative	0.0148	0.0746	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0257	0.1128
Schistosoma mansoni	hypothetical protein	0.0032	0.0025	0.0008
Schistosoma mansoni	hypothetical protein	0.0135	0.0668	0.0868
Brugia malayi	hypothetical protein	0.0236	0.1296	0.5817
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0025	0.0083
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0025	0.0006
Brugia malayi	intermediate filament protein	0.0054	0.0164	0.0709
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0058	0.0185	0.0802
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0058	0.0187	0.1979
Loa Loa (eye worm)	GABA receptor subunit	0.0031	0.0019	0.0055
Giardia lamblia	Thymidine kinase	0.0523	0.308	1
Mycobacterium ulcerans	thymidylate kinase	0.0148	0.0746	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0049	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.012	0.0135
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0164	0.0709
Loa Loa (eye worm)	cytochrome P450	0.0041	0.0081	0.0334
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0142	0.1334
Onchocerca volvulus		0.0036	0.005	0.0138
Echinococcus multilocularis	lamin dm0	0.0054	0.0164	0.0145
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.005	0.0041
Loa Loa (eye worm)	ACC-1 protein	0.0058	0.0185	0.0802
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0041	0.0081	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0058	0.0185	0.0802
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0058	0.0185	0.0166
Trichomonas vaginalis	inositol monophosphatase, putative	0.0075	0.029	0.0793
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0041	0.0081	0.0259
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.1256	1
Trypanosoma cruzi	thymidylate kinase, putative	0.0148	0.0746	0.2298
Brugia malayi	cytochrome P450	0.0041	0.0081	0.0334
Brugia malayi	hypothetical protein	0.0036	0.0049	0.0192
Onchocerca volvulus	Putative thymidylate kinase	0.0148	0.0746	0.3297
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0041	0.0081	0.0103
Schistosoma mansoni	lamin	0.0054	0.0164	0.0194
Entamoeba histolytica	hypothetical protein	0.0036	0.0049	0.0099
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0058	0.0187	0.0453
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0041	0.0081	0.0259
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0041	0.0081	0.0449
Echinococcus multilocularis	thymidine kinase	0.1233	0.7497	0.7492
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0041	0.0081	0.0103
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.012	0.0135
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0058	0.0185	0.0222
Echinococcus granulosus	intermediate filament protein	0.0054	0.0164	0.0194
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.005	0.0192
Onchocerca volvulus		0.0386	0.2224	1
Brugia malayi	hypothetical protein	0.0033	0.003	0.0105
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0041	0.0081	0.0449
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0058	0.0187	0.0608
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0058	0.0185	0.0166
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0041	0.0081	0.0259
Brugia malayi	excitatory GABA receptor EXP-1A	0.0058	0.0185	0.0802
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0142	0.0463
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0031	0.0019	0.0055
Schistosoma mansoni	lamin	0.0054	0.0164	0.0194
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0075	0.029	0.0793
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0148	0.0746	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0041	0.0081	0.0449
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0041	0.0081	0.0259
Entamoeba histolytica	hypothetical protein	0.0036	0.0049	0.0099
Echinococcus multilocularis	geminin	0.0334	0.1901	0.1886
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0041	0.0081	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Giardia lamblia	CDC8	0.0148	0.0746	0.1931
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0058	0.0185	0.0802
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0058	0.0185	0.0802
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0041	0.0081	0.0449
Trypanosoma brucei	cytochrome P450, putative	0.0061	0.0207	0.0673
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.005	0.0031
Echinococcus granulosus	lamin	0.0054	0.0164	0.0194
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0025	0.0008
Echinococcus multilocularis	glycine receptor subunit beta	0.0058	0.0185	0.0166
Echinococcus multilocularis	thymidylate kinase	0.0148	0.0746	0.0728
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.0187	0.0745
Onchocerca volvulus		0.0058	0.0185	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0158	0.0681
Schistosoma mansoni	ap endonuclease	0.0058	0.0187	0.0225
Onchocerca volvulus		0.0386	0.2224	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.005	0.0041
Trypanosoma cruzi	cytochrome P450, putative	0.0061	0.0207	0.052
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0075	0.029	0.3451
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0058	0.0185	0.0802
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0041	0.0081	0.0449
Leishmania major	thymidylate kinase-like protein	0.0148	0.0746	0.2298
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0058	0.0185	0.0166
Schistosoma mansoni	hypothetical protein	0.0048	0.0126	0.0142
Onchocerca volvulus		0.0036	0.005	0.0138
Brugia malayi	Cation transporter family protein	0.0386	0.2224	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0457	0.2029
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.1296	0.128
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0058	0.0185	0.0166
Schistosoma mansoni	hypothetical protein	0.0107	0.0493	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0025	0.0083
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0058	0.0187	0.0455
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0041	0.0081	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Schistosoma mansoni	ap endonuclease	0.0058	0.0187	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Trichomonas vaginalis	thymidine kinase, putative	0.0523	0.308	1
Onchocerca volvulus		0.0036	0.005	0.0138
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0457	0.2029
Schistosoma mansoni	hypothetical protein	0.0148	0.0746	0.0972
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0041	0.0081	0.0259
Leishmania major	hypothetical protein, conserved	0.0051	0.0142	0.0307
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0019	0.0055
Leishmania major	cytochrome p450-like protein	0.0041	0.0081	0.0103
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0148	0.0746	0.5772
Echinococcus multilocularis	musashi	0.0054	0.0164	0.0145
Mycobacterium leprae	putative cytochrome p450	0.0041	0.0081	0.0449
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.0207	0.0904
Onchocerca volvulus		0.0058	0.0185	0.0751
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0148	0.0746	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0061	0.0207	0.2263
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.0187	0.1979
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0041	0.0081	0.0259
Loa Loa (eye worm)	CYP4Cod1	0.0061	0.0207	0.0904
Echinococcus multilocularis		0.0041	0.0081	0.0062
Schistosoma mansoni	hypothetical protein	0.0334	0.1901	0.2517
Schistosoma mansoni	thyroid hormone receptor	0.0146	0.0735	0.0958
Schistosoma mansoni	hypothetical protein	0.0041	0.0081	0.0083
Loa Loa (eye worm)	inositol-1	0.0075	0.029	0.1277
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0058	0.0185	0.0222
Echinococcus granulosus	inositol monophosphatase 1	0.0075	0.029	0.0362
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0041	0.0081	0.0259
Loa Loa (eye worm)	ACC-1 protein	0.0058	0.0185	0.0802
Onchocerca volvulus		0.0054	0.0164	0.0657
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0031	0.0019	0.0055
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0031	0.0019	0.0055
Schistosoma mansoni	hypothetical protein	0.0032	0.0025	0.0008
Trypanosoma cruzi	thymidine kinase, putative	0.0523	0.308	1
Schistosoma mansoni	lipoxygenase	0.0055	0.0169	0.02
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0041	0.0081	0.0449
Brugia malayi	Cytochrome P450 family protein	0.0041	0.0081	0.0334
Trichomonas vaginalis	ap endonuclease, putative	0.0058	0.0187	0.0455
Brugia malayi	Cation transporter family protein	0.0058	0.0185	0.0802
Schistosoma mansoni	cytochrome P450	0.0041	0.0081	0.0083
Schistosoma mansoni	thymidylate kinase	0.0148	0.0746	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Schistosoma mansoni	hypothetical protein	0.0032	0.0025	0.0008
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0142	0.1334
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.012	0.0101
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0041	0.0081	0.0259
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0041	0.0081	0.0449
Leishmania major	hypothetical protein, conserved	0.0058	0.0187	0.0453
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.012	0.0511
Brugia malayi	beta-lactamase family protein	0.0036	0.005	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0041	0.0081	0.0262
Echinococcus granulosus	thymidine kinase	0.1233	0.7497	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0058	0.0185	0.0802
Trichomonas vaginalis	thymidylate kinase, putative	0.0148	0.0746	0.2298
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0058	0.0185	0.0222
Echinococcus granulosus	cytochrome P450 2K1	0.0041	0.0081	0.0083
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0041	0.0081	0.0259
Entamoeba histolytica	Thymidylate kinase, putative	0.0148	0.0746	0.2375
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0058	0.0185	0.0802
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0075	0.029	0.3451
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.1296	0.1708
Trypanosoma cruzi	thymidine kinase, putative	0.0523	0.308	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0041	0.0081	0.0449
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0058	0.0185	0.0802
Trypanosoma cruzi	thymidylate kinase, putative	0.0148	0.0746	0.2298
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0025	0.0083
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0041	0.0081	0.0103
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0126	0.0142
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0041	0.0081	0.0259
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0075	0.029	0.0793
Brugia malayi	beta-lactamase family protein	0.0036	0.005	0.0192
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Echinococcus granulosus	lamin dm0	0.0054	0.0164	0.0194
Schistosoma mansoni	thyroid hormone receptor	0.0146	0.0735	0.0958
Brugia malayi	Cytochrome P450 family protein	0.0061	0.0207	0.0904
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0142	0.0307
Brugia malayi	Inositol-1	0.0075	0.029	0.1277
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.1233	0.7497	1
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Schistosoma mansoni	hypothetical protein	0.0334	0.1901	0.2517
Entamoeba histolytica	hypothetical protein	0.0036	0.0049	0.0099
Echinococcus multilocularis	nAChR subunit	0.0058	0.0185	0.0166
Schistosoma mansoni	hypothetical protein	0.0032	0.0025	0.0008
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0058	0.0185	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0142	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0192
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0041	0.0081	0.0449
Mycobacterium leprae	Conserved hypothetical protein	0.0041	0.0081	0.0449
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0058	0.0185	0.0222
Trypanosoma brucei	thymidylate kinase, putative	0.0148	0.0746	0.2422
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0058	0.0185	0.0802
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0049	0.004
Giardia lamblia	Deoxynucleoside kinase	0.0405	0.2344	0.7454
Loa Loa (eye worm)	cytochrome P450 family protein	0.013	0.0631	0.2816
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.012	0.0135
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0164	0.0709
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0041	0.0081	0.0449
Entamoeba histolytica	thymidine kinase, putative	0.0523	0.308	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Onchocerca volvulus	Putative nachr subunit	0.0058	0.0185	0.0751
Echinococcus granulosus	glycine receptor subunit beta	0.0058	0.0185	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0058	0.0185	0.0802
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0041	0.0081	0.0449
Echinococcus granulosus	thymidylate kinase	0.0148	0.0746	0.0972
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0041	0.0081	0.0259
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0164	0.0709
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0075	0.029	0.1834
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0164	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0192
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0058	0.0185	0.0222
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0058	0.0185	0.0802
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0058	0.0187	0.0169
Echinococcus multilocularis	thymidine kinase	0.1233	0.7497	0.7492
Echinococcus multilocularis	glycine receptor subunit beta	0.0058	0.0185	0.0166
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0126	0.0536
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0058	0.0185	0.0802
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0041	0.0081	0.0259
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0058	0.0185	0.0802
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0257	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1296	0.5817
Echinococcus granulosus	GPCR family 2	0.0032	0.0025	0.0008
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0142	0.0307
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0041	0.0081	0.0449
Onchocerca volvulus		0.0058	0.0185	0.0751
Loa Loa (eye worm)	LGC-31 protein	0.0058	0.0185	0.0802
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0041	0.0081	0.0449
Echinococcus granulosus	thymidine kinase	0.1233	0.7497	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0058	0.0187	0.0455
Schistosoma mansoni	hypothetical protein	0.0069	0.0257	0.0318
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Brugia malayi	Cation transporter family protein	0.0058	0.0185	0.0802
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0058	0.0185	0.0222
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0067	0.0241	0.2752
Leishmania major	cytochrome p450-like protein	0.0061	0.0207	0.052
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.005	0.0161
Leishmania major	cytochrome p450-like protein	0.0041	0.0081	0.0103
Trypanosoma brucei	thymidylate kinase, putative	0.0148	0.0746	0.2422
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0058	0.0185	0.0222
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0049	0.004
Plasmodium falciparum	thymidylate kinase	0.0148	0.0746	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0075	0.029	0.0941
Trichomonas vaginalis	thymidine kinase, putative	0.0523	0.308	1
Trypanosoma brucei	thymidine kinase	0.0523	0.308	1
Brugia malayi	beta-lactamase	0.0036	0.005	0.0192
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0041	0.0081	0.0259
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0386	0.2224	0.2948
Leishmania major	thymidine kinase, putative	0.0523	0.308	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0058	0.0185	0.0166
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0058	0.0187	0.1142
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0058	0.0187	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0067	0.0241	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0058	0.0185	0.0802
Onchocerca volvulus		0.0054	0.0164	0.0657
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0058	0.0185	0.0166
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0058	0.0187	0.0455
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0041	0.0081	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0386	0.2224	1
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Schistosoma mansoni	thymidine kinase	0.1233	0.7497	1
Trypanosoma cruzi	cytochrome P450, putative	0.0061	0.0207	0.052
Echinococcus multilocularis	inositol monophosphatase 1	0.0075	0.029	0.0271
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0025	0.0006
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0041	0.0081	0.0259
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0058	0.0185	0.0166
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0041	0.0081	0.0103
Trypanosoma brucei	RNA helicase, putative	0.0229	0.1247	0.4049
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0058	0.0187	0.055
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0164	0.0709
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0058	0.0185	0.0802
Brugia malayi	exodeoxyribonuclease III family protein	0.0058	0.0187	0.0814
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0457	0.2029
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Echinococcus multilocularis	transfer RNA-Ile	0.1233	0.7497	0.7492
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0058	0.0185	0.0222
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0135	0.0668	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0041	0.0081	0.0259
Schistosoma mansoni	thymidylate kinase	0.0148	0.0746	0.0972
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0041	0.0081	0.0449
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0146	0.0735	0.0718
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0025	0.0083
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0192
Schistosoma mansoni	hypothetical protein	0.0229	0.1247	0.1642
Trichomonas vaginalis	thymidine kinase, putative	0.0523	0.308	1
Echinococcus granulosus	glycine receptor subunit beta	0.0058	0.0185	0.0222
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0058	0.0185	0.0802
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0058	0.0185	0.0166
Loa Loa (eye worm)	thymidylate kinase	0.0148	0.0746	0.3334
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0049	0.003
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0386	0.2224	0.2948
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0058	0.0185	0.0222
Brugia malayi	Cytochrome P450 family protein	0.0061	0.0207	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0192
Brugia malayi	thymidylate kinase	0.0148	0.0746	0.3334
Toxoplasma gondii	thymidylate kinase	0.0148	0.0746	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0075	0.029	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Onchocerca volvulus		0.0048	0.0126	0.0483
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0041	0.0081	0.0449
Entamoeba histolytica	hypothetical protein	0.0036	0.0049	0.0099
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0041	0.0081	0.0449
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0025	0.0006
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0058	0.0185	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0185	0.0802
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0041	0.0081	0.0259
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0041	0.0081	0.0259
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0075	0.029	0.0793
Echinococcus multilocularis	lamin	0.0054	0.0164	0.0145
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0169	0.015
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.005	0.0041
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0169	0.02
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0058	0.0185	0.0166
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0075	0.029	0.0885
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0058	0.0185	0.0222
Brugia malayi	hypothetical protein	0.0051	0.0142	0.0612
Treponema pallidum	thymidylate kinase (tmk)	0.0148	0.0746	1
Toxoplasma gondii	exonuclease III APE	0.0058	0.0187	0.1979
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0192
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0058	0.0185	0.0222
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0058	0.0185	0.0802
Echinococcus granulosus	nAChR subunit	0.0058	0.0185	0.0222
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0058	0.0185	0.0222
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0058	0.0187	0.0453
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.012	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0055
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0058	0.0185	0.0222
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0075	0.029	0.0793
Trichomonas vaginalis	ap endonuclease, putative	0.0058	0.0187	0.0455
Onchocerca volvulus		0.0386	0.2224	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.0207	0.0904
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.012	0.0511
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.012	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0359	0.2058	0.9253
Chlamydia trachomatis	thymidylate kinase	0.0148	0.0746	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0058	0.0185	0.0222
Trichomonas vaginalis	thymidylate kinase, putative	0.0148	0.0746	0.2298
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0058	0.0187	0.0225
Brugia malayi	Cytochrome P450 family protein	0.013	0.0631	0.2816
Schistosoma mansoni	nAChR subunit	0.0058	0.0185	0.0222
Echinococcus granulosus	geminin	0.0334	0.1901	0.2517

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.5 uM	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine	ChEMBL.	2842503
IC50 (functional)	= 3 uM	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5' -monophosphate (dcAMP)	ChEMBL.	2842503
Inhibition (functional)	= 41 %	Percent inhibition of total acid secretion in pylorus-ligated rats at an id dose of 20 mg/kg	ChEMBL.	2842503
Inhibition (binding)	= 24 uM	Evaluated for the inhibition of H+/K+ ATPase enzyme from fundic mucosa of white rabbits	ChEMBL.	2842503

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.

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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 75461