TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1052.13 | Formula: C50H69N9O16
H donors: 11 H acceptors: 16 LogP: 1 Rotable bonds: 37
Rule of 5 violations (Lipinski): 4
SMILES: CCCN(C(=O)c1ccc(cc1)c1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O
InChi: 1S/C50H69N9O16/c1-8-22-59(49(74)32-18-16-31(17-19-32)30-13-10-9-11-14-30)57-46(71)36-15-12-23-58(36)50(75)41(27(4)5)55-47(72)40(26(2)3)54-45(70)35(25-39(66)67)53-43(68)33(20-21-37(62)63)52-48(73)42(28(6)60)56-44(69)34(24-38(64)65)51-29(7)61/h9-11,13-14,16-19,26-28,33-36,40-42,60H,8,12,15,20-25H2,1-7H3,(H,51,61)(H,52,73)(H,53,68)(H,54,70)(H,55,72)(H,56,69)(H,57,71)(H,62,63)(H,64,65)(H,66,67)/t28-,33+,34+,35+,36-,40+,41+,42+/m1/s1
InChiKey: YEFHNGFTBDKXBC-FZIRJUHISA-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
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.003	0.0293	0.0289
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.044	0.0707
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.003	0.0293	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0149	0.0226
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0149	0.2108
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.003	0.0293	0.0289
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0058	0.0402
Leishmania major	cytochrome p450-like protein	0.0023	0.0149	0.2114
Mycobacterium tuberculosis	Conserved protein	0.0036	0.044	0.0714
Mycobacterium ulcerans	epimerase	0.002	0.0088	0.0136
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.069	0.5127
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.003	0.0293	0.048
Brugia malayi	cation channel family protein	0.003	0.0293	0.0506
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.003	0.0293	0.4212
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Loa Loa (eye worm)	voltage-gated potassium channel	0.003	0.0293	0.048
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.044	0.0707
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.2033	0.3304
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.003	0.0293	0.0506
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.044	0.0714
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.003	0.0293	0.0469
Echinococcus granulosus	transient receptor potential cation channel	0.003	0.0293	0.0289
Brugia malayi	glutathione reductase	0.0048	0.069	0.1202
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0021	0.012
Plasmodium vivax	SET domain protein, putative	0.003	0.0303	0.2235
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0149	0.0235
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.044	0.0714
Echinococcus multilocularis	potassium voltage gated channel protein	0.003	0.0293	0.0289
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.044	0.6349
Brugia malayi	NADH dehydrogenase subunit 1, identical	0.008	0.1394	0.2439
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.003	0.0293	0.0289
Echinococcus granulosus	short transient receptor potential channel 6	0.003	0.0309	0.0305
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.003	0.0293	0.0289
Echinococcus multilocularis	transient receptor potential cation channel	0.003	0.0293	0.0289
Echinococcus multilocularis	Ankyrin repeat domain containing protein	0.0091	0.1634	0.163
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0121	0.23	0.3738
Echinococcus multilocularis	calcium activated potassium channel	0.003	0.0293	0.0289
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0303	0.0299
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.003	0.0293	0.0289
Mycobacterium leprae	PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE)	0.0077	0.1341	0.5664
Echinococcus granulosus	two pore calcium channel protein 2	0.003	0.0293	0.0289
Toxoplasma gondii	ABC1 family protein	0.0036	0.044	0.3256
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.003	0.0293	0.0289
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.003	0.0293	0.0289
Echinococcus granulosus	sodium channel protein	0.003	0.0293	0.0289
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0149	0.2114
Loa Loa (eye worm)	glutaminase 2	0.0276	0.5703	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.044	0.0435
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.003	0.0293	0.0289
Leishmania major	hypothetical protein, unknown function	0.003	0.0293	0.4212
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.003	0.0293	0.0289
Trypanosoma brucei	trypanothione reductase	0.0048	0.069	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.069	0.1121
Echinococcus multilocularis	short transient receptor potential channel 6	0.003	0.0293	0.0289
Mycobacterium tuberculosis	Conserved protein	0.0036	0.044	0.0714
Echinococcus multilocularis	two pore calcium channel protein 2	0.003	0.0293	0.0289
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0149	0.0236
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.044	0.0714
Schistosoma mansoni	transient receptor potential channel 4	0.003	0.0293	0.0469
Echinococcus multilocularis	transient receptor potential cation channel	0.003	0.0309	0.0305
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.2033	0.3304
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.003	0.0293	0.048
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.2033	0.3304
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0149	0.0235
Echinococcus multilocularis	transient receptor potential cation channel	0.003	0.0293	0.0289
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0149	0.0235
Echinococcus multilocularis	transient receptor potential cation channel	0.003	0.0293	0.0289
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.003	0.0293	0.0506
Loa Loa (eye worm)	voltage-dependent calcium channel	0.003	0.0293	0.048
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.003	0.0293	0.0425
Schistosoma mansoni	two-pore calcium channel	0.003	0.0293	0.0469
Loa Loa (eye worm)	calcium channel	0.003	0.0293	0.048
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0121	0.23	0.3738
Toxoplasma gondii	hypothetical protein	0.003	0.0293	0.2159
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.2033	0.8793
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.2033	0.3304
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.003	0.0293	0.0289
Schistosoma mansoni	vesicular amine transporter	0.003	0.0293	0.0469
Brugia malayi	Hypothetical 29.7 kDa protein C05D11.5 in chromosome III	0.002	0.0088	0.0147
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0149	0.0235
Loa Loa (eye worm)	glutathione reductase	0.0048	0.069	0.1177
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0149	0.2114
Schistosoma mansoni	glutaminase	0.0276	0.5703	0.9267
Schistosoma mansoni	voltage-dependent calcium channel	0.003	0.0293	0.0469
Echinococcus multilocularis	potassium large conductance calcium activated	0.003	0.0293	0.0289
Schistosoma mansoni	voltage-gated cation channel	0.003	0.0293	0.0469
Brugia malayi	beta-lactamase family protein	0.0036	0.044	0.0763
Echinococcus granulosus	voltage dependent calcium channel	0.003	0.0293	0.0289
Schistosoma mansoni	calcium channel voltage-dependent p/q type alpha 1a-related	0.003	0.0293	0.0469
Loa Loa (eye worm)	hypothetical protein	0.003	0.0303	0.0497
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.044	0.0714
Brugia malayi	DNA-(Apurinic or apyrimidinic site) lyase	0.0077	0.1341	0.2345
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Onchocerca volvulus		0.0102	0.1887	0.3731
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.003	0.0293	0.0289
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.044	0.0763
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.4893	0.858
Mycobacterium ulcerans	hypothetical protein	0.002	0.0088	0.0136
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0005	0.0008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0149	0.0242
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.044	0.0763
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.003	0.0293	0.4212
Onchocerca volvulus		0.0023	0.0149	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.0737
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Echinococcus granulosus	potassium voltage gated channel protein	0.003	0.0293	0.0289
Echinococcus granulosus	neuropeptide receptor A26	0.0471	1	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.003	0.0293	0.0469
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0058	0.0402
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.003	0.0293	0.0506
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Brugia malayi	NADH dehydrogenase subunit 1	0.008	0.1394	0.2439
Mycobacterium leprae	Probable lipase LipE	0.0036	0.044	0.1589
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.003	0.0293	0.0289
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Onchocerca volvulus		0.008	0.1394	0.2709
Brugia malayi	hypothetical protein	0.003	0.0293	0.0506
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0058	0.0095
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0121	0.23	1
Loa Loa (eye worm)	voltage-gated calcium channel	0.003	0.0293	0.048
Brugia malayi	Cytochrome P450 family protein	0.0053	0.0801	0.1398
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.003	0.0293	0.0289
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0303	0.2235
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.0737
Echinococcus multilocularis	sodium channel protein	0.003	0.0293	0.0289
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.003	0.0293	0.0289
Echinococcus multilocularis	shaker cognate	0.003	0.0293	0.0289
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.044	0.0714
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.003	0.0293	0.0289
Echinococcus multilocularis	geminin	0.0171	0.3398	0.3395
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.044	0.0737
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Echinococcus granulosus	TRP transient receptor potential channel	0.003	0.0293	0.0289
Schistosoma mansoni	hypothetical protein	0.0171	0.3398	0.552
Echinococcus granulosus	potassium voltage gated channel protein	0.003	0.0293	0.0289
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.003	0.0293	0.0469
Onchocerca volvulus		0.003	0.0293	0.0425
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.003	0.0293	0.0289
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.003	0.0293	0.4212
Echinococcus granulosus	ryanodine receptor 44f	0.003	0.0293	0.0289
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0058	0.0094
Schistosoma mansoni	hypothetical protein	0.0171	0.3398	0.552
Echinococcus granulosus	voltage gated potassium channel	0.003	0.0293	0.0289
Mycobacterium tuberculosis	Possible formate hydrogenlyase HycD (FHL)	0.008	0.1394	0.2266
Mycobacterium tuberculosis	Conserved protein	0.0036	0.044	0.0714
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.003	0.0293	0.0469
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0149	0.0254
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.003	0.0293	0.0506
Echinococcus multilocularis	potassium voltage gated channel protein	0.003	0.0293	0.0289
Brugia malayi	Transient-receptor-potential like protein	0.003	0.0293	0.0506
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.0556	0.0897
Brugia malayi	olfactory channel protein osm-9	0.003	0.0309	0.0535
Toxoplasma gondii	endonuclease IV APN	0.0077	0.1341	1
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0091	0.1634	0.265
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.044	0.6349
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.069	0.1177
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.003	0.0293	0.0289
Mycobacterium ulcerans	NADH dehydrogenase subunit H	0.0296	0.6153	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.044	0.0763
Echinococcus granulosus	short transient receptor potential channel 6	0.003	0.0293	0.0289
Echinococcus granulosus	transient receptor potential gamma protein	0.003	0.0293	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1903	0.3313
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit	0.003	0.0293	0.0506
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.003	0.0293	0.0289
Loa Loa (eye worm)	hypothetical protein	0.003	0.0309	0.0508
Schistosoma mansoni	hypothetical protein	0.003	0.0293	0.0469
Loa Loa (eye worm)	ryanodine receptor	0.003	0.0293	0.048
Echinococcus granulosus	transient receptor potential cation channel	0.003	0.0293	0.0289
Brugia malayi	cation channel family protein	0.003	0.0293	0.0506
Chlamydia trachomatis	endonuclease IV	0.0077	0.1341	1
Echinococcus multilocularis	transient receptor potential cation channel	0.003	0.0309	0.0305
Echinococcus granulosus	voltage gated hydrogen channel 1	0.003	0.0293	0.0289
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0149	0.0227
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0058	0.0054
Schistosoma mansoni	transient receptor potential channel	0.003	0.0293	0.0469
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.003	0.0293	0.0469
Echinococcus multilocularis	neuropeptide s receptor	0.0471	1	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0058	0.0087
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0149	0.0254
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0058	1
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Mycobacterium ulcerans	endonuclease IV	0.0077	0.1341	0.2173
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.044	0.0714
Brugia malayi	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.003	0.0293	0.0506
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H)	0.0296	0.6153	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0149	0.0275
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog	0.003	0.0293	0.0506
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.003	0.0293	0.0506
Echinococcus multilocularis	neuropeptide receptor A26	0.0471	1	1
Brugia malayi	Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog	0.003	0.0293	0.0506
Brugia malayi	ion channel NompC	0.003	0.0293	0.0506
Brugia malayi	hypothetical protein	0.008	0.1394	0.2439
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.003	0.0293	0.0469
Echinococcus granulosus	transient receptor potential cation channel	0.003	0.0309	0.0305
Mycobacterium tuberculosis	Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase)	0.0077	0.1341	0.2179
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.003	0.0293	0.0506
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0149	0.0227
Echinococcus granulosus	potassium voltage gated channel protein	0.003	0.0293	0.0289
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.003	0.0293	0.0469
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0021	0.0026
Schistosoma mansoni	ap endonuclease	0.0019	0.0058	0.0087
Echinococcus granulosus	transient receptor potential cation channel	0.003	0.0293	0.0289
Echinococcus multilocularis	ryanodine receptor 44f	0.003	0.0293	0.0289
Schistosoma mansoni	transient receptor potential channel	0.003	0.0293	0.0469
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.044	0.0763
Echinococcus granulosus	voltage dependent calcium channel	0.003	0.0293	0.0289
Toxoplasma gondii	exonuclease III APE	0.0019	0.0058	0.0402
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Brugia malayi	glutaminase DH11.1	0.0276	0.5702	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.003	0.0293	0.0506
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.0801	0.1374
Echinococcus multilocularis	voltage gated potassium channel	0.003	0.0293	0.0289
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.003	0.0293	0.0289
Echinococcus granulosus	voltage gated potassium channel	0.003	0.0293	0.0289
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.003	0.0293	0.4212
Echinococcus granulosus	shaker cognate	0.003	0.0293	0.0289
Mycobacterium ulcerans	sugar phosphate isomerases/epimerases	0.002	0.0088	0.0136
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.003	0.0293	0.0506
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0149	0.0254
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.044	0.0763
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.003	0.0293	0.0289
Echinococcus multilocularis	hyperpolarization activated cyclic	0.003	0.0293	0.0289
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.003	0.0293	0.0289
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0021	0.0034
Echinococcus granulosus	transient receptor potential cation channel	0.003	0.0293	0.0289
Toxoplasma gondii	transporter, cation channel family protein	0.003	0.0293	0.2159
Echinococcus granulosus	NADH dehydrogenase subunit 1	0.0296	0.6153	0.6151
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0149	0.0242
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Leishmania major	hypothetical protein, conserved	0.003	0.0293	0.4212
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.044	0.0714
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0058	0.0054
Schistosoma mansoni	hypothetical protein	0.0052	0.0788	0.1274
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.003	0.0293	0.0289
Echinococcus multilocularis	conserved hypothetical protein	0.003	0.0293	0.0289
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0088	0.0143
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.003	0.0293	0.0289
Echinococcus multilocularis	potassium voltage gated channel protein	0.003	0.0293	0.0289
Plasmodium falciparum	glutathione reductase	0.0048	0.069	0.5127
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.044	0.0707
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Brugia malayi	beta-lactamase family protein	0.0036	0.044	0.0763
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.003	0.0293	0.0289
Loa Loa (eye worm)	glutaminase	0.0276	0.5703	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.003	0.0293	0.2159
Echinococcus granulosus	sodium leak channel non selective protein	0.003	0.0293	0.0289
Mycobacterium ulcerans	glutaminase	0.0276	0.5702	0.9267
Echinococcus multilocularis	short transient receptor potential channel 6	0.003	0.0309	0.0305
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0149	0.2114
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.003	0.0293	0.0469
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0149	0.0235
Echinococcus granulosus	transient receptor potential cation channel	0.003	0.0293	0.0289
Echinococcus multilocularis	two pore calcium channel protein 1	0.003	0.0293	0.0289
Brugia malayi	Pre-SET motif family protein	0.021	0.4256	0.7461
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.003	0.0293	0.0289
Loa Loa (eye worm)	beta-lactamase	0.0036	0.044	0.0737
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0058	0.0066
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0303	0.0486
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.003	0.0293	0.0469
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0058	0.0784
Mycobacterium tuberculosis	Probable reductase	0.0109	0.2033	0.3304
Loa Loa (eye worm)	hypothetical protein	0.002	0.0088	0.0119
Schistosoma mansoni	transient receptor potential channel	0.003	0.0309	0.0496
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.003	0.0293	0.0289
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Mycobacterium ulcerans	formate hydrogenlyase HycD	0.008	0.1394	0.226
Onchocerca volvulus		0.0036	0.044	0.0729
Toxoplasma gondii	transporter, cation channel family protein	0.003	0.0293	0.2159
Trichomonas vaginalis	glutaminase, putative	0.0276	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Echinococcus multilocularis	transient receptor potential cation channel	0.003	0.0293	0.0289
Schistosoma mansoni	NADH dehydrogenase subunit 1	0.008	0.1394	0.226
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0149	1
Brugia malayi	hypothetical protein	0.0103	0.1903	0.3332
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.003	0.0293	0.0289
Echinococcus multilocularis	voltage gated potassium channel	0.003	0.0293	0.0289
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.003	0.0293	0.0469
Echinococcus granulosus	potassium large conductance calcium activated	0.003	0.0293	0.0289
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.4256	0.7454
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0058	0.0087
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.003	0.0293	0.0469
Leishmania major	trypanothione reductase	0.0048	0.069	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.003	0.0293	0.0289
Mycobacterium ulcerans	hypothetical protein	0.0036	0.044	0.0707
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0303	0.0486
Plasmodium vivax	apurinic/apyrimidinic endonuclease Apn1, putative	0.0077	0.1341	1
Loa Loa (eye worm)	NADH dehydrogenase subunit 1	0.008	0.1394	0.2417
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0058	0.0784
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.003	0.0293	0.0469
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.069	0.0685
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.003	0.0293	0.0469
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.003	0.0293	0.0289
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.044	0.1589
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.003	0.0293	0.0289
Brugia malayi	voltage-dependent calcium channel	0.003	0.0293	0.0506
Schistosoma mansoni	voltage-gated ion channel	0.003	0.0293	0.0469
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Plasmodium falciparum	thioredoxin reductase	0.0048	0.069	0.5127
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0149	0.0235
Echinococcus granulosus	two pore calcium channel protein 1	0.003	0.0293	0.0289
Brugia malayi	Voltage-gated calcium channel, alpha subunit	0.003	0.0293	0.0506
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0149	0.0254
Echinococcus multilocularis	voltage gated hydrogen channel 1	0.003	0.0293	0.0289
Toxoplasma gondii	transporter, cation channel family protein	0.003	0.0293	0.2159
Brugia malayi	Cyclic-nucleotide gated cation channel	0.003	0.0293	0.0506
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0149	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.0737
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0149	0.0235
Toxoplasma gondii	thioredoxin reductase	0.0048	0.069	0.5127
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.003	0.0293	0.0469
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0149	0.2108
Schistosoma mansoni	hypothetical protein	0.0296	0.6153	1
Onchocerca volvulus		0.0042	0.0556	0.097
Echinococcus granulosus	potassium voltage gated channel protein	0.003	0.0293	0.0289
Echinococcus multilocularis	transient receptor potential gamma protein	0.003	0.0293	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1341	0.2323
Echinococcus granulosus	Ankyrin repeat domain containing protein	0.0091	0.1634	0.163
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.044	0.0435
Mycobacterium ulcerans	beta-lactamase	0.0036	0.044	0.0707
Onchocerca volvulus		0.024	0.491	1
Loa Loa (eye worm)	voltage-gated potassium channel	0.003	0.0293	0.048
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.003	0.0293	0.0289
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.2033	0.3304
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.003	0.0293	0.0289
Echinococcus multilocularis	voltage dependent calcium channel	0.003	0.0293	0.0289
Loa Loa (eye worm)	ion channel NompC	0.003	0.0293	0.048
Schistosoma mansoni	calcium-activated potassium channel	0.003	0.0293	0.0469
Toxoplasma gondii	hypothetical protein	0.003	0.0293	0.2159
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.044	0.6349
Schistosoma mansoni	60S ribosomal protein L21	0.003	0.0293	0.0469
Trichomonas vaginalis	esterase, putative	0.0036	0.044	0.0763
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0021	0.012
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0149	0.0226
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.003	0.0293	0.048
Leishmania major	hypothetical protein, conserved	0.0036	0.044	0.6349
Mycobacterium ulcerans	lipase LipD	0.0036	0.044	0.0707
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0149	0.0235
Brugia malayi	M-phase phosphoprotein, mpp8	0.0102	0.1887	0.3303
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0149	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.044	0.0763
Brugia malayi	Pre-SET motif family protein	0.003	0.0303	0.0524
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Echinococcus multilocularis	transfer RNA-Gly	0.003	0.0293	0.0289
Echinococcus multilocularis	hyperpolarization activated cyclic	0.003	0.0293	0.0289
Onchocerca volvulus		0.0102	0.1887	0.3731
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0303	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.0737
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Onchocerca volvulus		0.008	0.1394	0.2709
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0058	0.0784
Echinococcus granulosus	calcium activated potassium channel	0.003	0.0293	0.0289
Echinococcus multilocularis	sodium leak channel non selective protein	0.003	0.0293	0.0289
Onchocerca volvulus		0.0036	0.044	0.0729
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.003	0.0293	0.0425
Plasmodium falciparum	apurinic/apyrimidinic endonuclease Apn1, putative	0.0077	0.1341	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase subunit H	0.0296	0.6153	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0058	0.0094
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Echinococcus granulosus	hypothetical protein	0.003	0.0293	0.0289
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0303	0.0299
Schistosoma mansoni	voltage-gated potassium channel	0.003	0.0293	0.0469
Echinococcus multilocularis	potassium voltage gated channel protein	0.003	0.0293	0.0289
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.4742	0.7706
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0058	0.0784
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.003	0.0293	0.0469
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Onchocerca volvulus		0.0036	0.044	0.0729
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.003	0.0293	0.0289
Echinococcus granulosus	geminin	0.0171	0.3398	0.3395
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0149	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.003	0.0293	0.0289
Echinococcus granulosus	potassium voltage gated channel protein	0.003	0.0293	0.0289
Plasmodium vivax	glutathione reductase, putative	0.0048	0.069	0.5127
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0058	0.0094
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.044	0.3256
Schistosoma mansoni	multiple ankyrin repeats single kh domain protein	0.0091	0.1634	0.265
Mycobacterium tuberculosis	Probable oxidoreductase	0.0121	0.23	0.3738
Loa Loa (eye worm)	hypothetical protein	0.0036	0.044	0.0737
Brugia malayi	Thioredoxin reductase	0.0048	0.069	0.1202
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.044	0.0707
Schistosoma mansoni	ryanodine receptor related	0.003	0.0293	0.0469
Brugia malayi	beta-lactamase	0.0036	0.044	0.0763
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.003	0.0293	0.0506
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0058	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1887	0.3284
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0149	0.0254
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.003	0.0293	0.0506
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.069	0.0685
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0303	0.0299
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.003	0.0293	0.4212
Echinococcus multilocularis	voltage dependent calcium channel	0.003	0.0293	0.0289
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.003	0.0293	0.0506
Loa Loa (eye worm)	hypothetical protein	0.003	0.0293	0.048
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0021	0.012
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0149	0.2108
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0279	0.0274
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0149	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0149	0.0226
Echinococcus granulosus	hyperpolarization activated cyclic	0.003	0.0293	0.0289
Schistosoma mansoni	ap endonuclease	0.0019	0.0058	0.0087
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.003	0.0293	0.2159
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.069	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.003	0.0293	0.0506

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	> 100 uM	Binding affinity against Hepatitis C virus NS3 protease	ChEMBL.	11909704
Ki (binding)	> 100 uM	Binding affinity against Hepatitis C virus NS3 protease	ChEMBL.	11909704

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 376400