TDR Targets

Basic information

Technical information

TDR Targets ID: 410388
Name: 3-amino-2-[(4-chlorophenyl)methyl]-7,8,9,10-t etrahydrobenzo[h]quinoline-4-carboxylic acid
MW: 366.841 | Formula: C21H19ClN2O2
H donors: 2 H acceptors: 3 LogP: 5.55 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)Cc1nc2c3CCCCc3ccc2c(c1N)C(=O)O
InChi: 1S/C21H19ClN2O2/c22-14-8-5-12(6-9-14)11-17-19(23)18(21(25)26)16-10-7-13-3-1-2-4-15(13)20(16)24-17/h5-10H,1-4,11,23H2,(H,25,26)
InChiKey: XANOJWALLPEXBI-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

3-azanyl-2-[(4-chlorophenyl)methyl]-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid
3-amino-2-(4-chlorobenzyl)-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	sugar transport protein, putative	0.0016	0.0052	0.028
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0224	0.0259
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Leishmania major	glucose transporter, lmgt1	0.0034	0.0408	0.8307
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0016	0.0052	0.0338
Toxoplasma gondii	sugar transporter ST3	0.0016	0.0052	0.0091
Schistosoma mansoni	nAChR subunit	0.0099	0.164	0.4272
Toxoplasma gondii	transporter, major facilitator family protein	0.0016	0.0052	0.0091
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0215	0.384	0.5408
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0459	0.0806
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0224	0.4573
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0052	0.028
Schistosoma mansoni	hypothetical protein	0.0111	0.1856	0.4832
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0468	0.1219
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0215	0.384	0.5408
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0099	0.164	0.231
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0225	0.021
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0215	0.384	0.5408
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.1536	1
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0215	0.384	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0225	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0215	0.384	0.5408
Plasmodium falciparum	protein kinase 7	0.0312	0.5687	0.6563
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0215	0.384	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0387	0.7101	0.7097
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Schistosoma mansoni	protein kinase	0.0034	0.04	0.104
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0099	0.164	0.1628
Brugia malayi	Sugar transporter family protein	0.0016	0.0052	0.0073
Mycobacterium tuberculosis	Probable reductase	0.0084	0.1358	0.8837
Brugia malayi	hypothetical protein	0.0016	0.0052	0.0073
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0215	0.384	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0052	0.0037
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0408	0.8307
Brugia malayi	hypothetical protein	0.0099	0.164	0.231
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0052	0.0135
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0224	0.0259
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0459	0.0444
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0215	0.384	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0215	0.384	1
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0052	0.028
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0387	0.7101	1
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0052	0.0073
Onchocerca volvulus	Putative nachr subunit	0.0215	0.384	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0099	0.164	0.231
Trichomonas vaginalis	conserved hypothetical protein	0.0111	0.1856	1
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0034	0.04	0.0461
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0034	0.0408	0.8307
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0215	0.384	1
Brugia malayi	major facilitator superfamily protein	0.0016	0.0052	0.0073
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0034	0.04	0.104
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0034	0.04	0.8139
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Toxoplasma gondii	sugar transporter ST2	0.0016	0.0052	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Echinococcus granulosus	synaptic vesicle 2 protein	0.0016	0.0052	0.0135
Giardia lamblia	Prolyl-tRNA synthetase	0.0033	0.0386	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0215	0.384	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0111	0.1856	0.4832
Echinococcus granulosus	nAChR subunit	0.0215	0.384	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0215	0.384	1
Trypanosoma cruzi	hexose transporter, putative	0.0019	0.0113	0.2294
Trypanosoma cruzi	sugar transporter, putative	0.0016	0.0052	0.1058
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0016	0.0052	0.1058
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0116	0.1957	0.2755
Plasmodium vivax	hexose transporter	0.0111	0.1856	0.2142
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0386	0.0372
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0215	0.384	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Schistosoma mansoni	glucose transporter	0.0016	0.0052	0.0135
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0099	0.164	0.4272
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0052	0.0073
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	acetylcholine receptor protein	0.0099	0.164	0.1628
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0468	0.1219
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0215	0.384	1
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0052	0.028
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0491	1
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0033	0.0386	0.0544
Leishmania major	protein kinase, putative	0.0034	0.04	0.8139
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0215	0.384	0.5408
Brugia malayi	Cam kinase protein 1	0.0034	0.04	0.0563
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Plasmodium falciparum	glutathione reductase	0.0037	0.0459	0.0529
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0459	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Plasmodium falciparum	protein kinase 6	0.0469	0.8665	1
Brugia malayi	hypothetical protein	0.0099	0.164	0.231
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus multilocularis	nAChR subunit	0.0116	0.1957	0.5095
Schistosoma mansoni	glucose transport protein	0.0111	0.1856	0.4832
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Mycobacterium ulcerans	sugar transporter	0.0016	0.0052	0.2304
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0215	0.384	0.3831
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0034	0.04	0.0461
Schistosoma mansoni	sugar transporter	0.0016	0.0052	0.0135
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Trypanosoma brucei	glucose transporter 2A	0.0034	0.0408	0.8307
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0459	0.9344
Entamoeba histolytica	protein kinase, putative	0.0034	0.04	0.1006
Echinococcus granulosus	solute carrier family 22	0.0016	0.0052	0.0135
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0408	0.2197
Toxoplasma gondii	protein kinase, putative	0.0312	0.5687	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0408	0.2197
Toxoplasma gondii	sugar transporter ST1	0.0016	0.0052	0.0091
Echinococcus granulosus	solute carrier family 22	0.0016	0.0052	0.0135
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0459	0.0529
Schistosoma mansoni	sugar transporter	0.0016	0.0052	0.0135
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0099	0.164	0.4272
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0099	0.164	0.4272
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0224	0.0259
Brugia malayi	hypothetical protein	0.0016	0.0059	0.0083
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0039	0.0491	0.0863
Brugia malayi	hypothetical protein	0.0099	0.164	0.231
Brugia malayi	lysyl-tRNA synthetase	0.0025	0.0225	0.0317
Chlamydia trachomatis	lysine--tRNA ligase	0.0025	0.0225	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0215	0.384	0.5408
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0408	0.8307
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Echinococcus multilocularis	nAChR subunit	0.0215	0.384	1
Plasmodium vivax	lysine--tRNA ligase, putative	0.0025	0.0225	0.026
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0225	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0215	0.384	1
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0052	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0052	0.028
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0215	0.384	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Onchocerca volvulus		0.0215	0.384	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0215	0.384	0.5408
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0033	0.0386	0.1006
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0099	0.164	0.231
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0459	0.0529
Onchocerca volvulus		0.0215	0.384	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0215	0.384	0.5408
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Brugia malayi	Sugar transporter family protein	0.0111	0.1856	0.2613
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Echinococcus multilocularis	General substrate transporter	0.0095	0.1561	0.4064
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0034	0.04	0.0461
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0033	0.0386	0.1006
Trypanosoma brucei	trypanothione reductase	0.0037	0.0459	0.9344
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0215	0.384	0.5408
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.1358	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0052	0.0135
Leishmania major	lysyl-tRNA synthetase, putative	0.0025	0.0225	0.459
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0408	0.2197
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0052	0.2304
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0084	0.1358	0.8707
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0052	0.0037
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0016	0.0052	0.0135
Schistosoma mansoni	sugar transporter	0.0016	0.0052	0.0135
Echinococcus granulosus	calcium dependent protein kinase	0.0032	0.036	0.0937
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0215	0.384	1
Onchocerca volvulus		0.0099	0.164	0.4193
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.1536	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0215	0.384	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0033	0.0386	0.1678
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.1358	0.8837
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Schistosoma mansoni	glucose transport protein	0.0111	0.1856	0.4832
Onchocerca volvulus		0.0215	0.384	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.1358	0.8837
Schistosoma mansoni	neurotransmitter gated ion channel	0.0099	0.164	0.4272
Leishmania major	glucose transporter, lmgt2	0.0034	0.0408	0.8307
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus multilocularis	calcium dependent protein kinase	0.0032	0.036	0.0937
Loa Loa (eye worm)	GABA receptor subunit	0.0116	0.1957	0.1944
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0215	0.384	0.3831
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0215	0.384	1
Plasmodium vivax	sugar transporter, putative	0.0016	0.0052	0.006
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0215	0.384	0.5408
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Trypanosoma brucei	sugar transporter, putative	0.0016	0.0052	0.1058
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Giardia lamblia	Hexose transporter	0.0016	0.0052	0.1343
Loa Loa (eye worm)	ACC-1 protein	0.0215	0.384	0.3831
Toxoplasma gondii	facilitative glucose transporter GT1	0.0111	0.1856	0.3263
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0034	0.04	0.0461
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0408	0.8307
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0099	0.164	0.4272
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Giardia lamblia	Lysyl-tRNA synthetase	0.0025	0.0225	0.5829
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0034	0.04	0.0461
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0215	0.384	0.5408
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0215	0.384	0.5408
Toxoplasma gondii	lysine-tRNA ligase	0.0025	0.0225	0.0396
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0215	0.384	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0215	0.384	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.1358	0.8837
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0408	0.8307
Plasmodium falciparum	lysine--tRNA ligase	0.0025	0.0225	0.026
Echinococcus granulosus	solute carrier family 22	0.0016	0.0052	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0034	0.04	0.0385
Leishmania major	myo-inositol/proton symporter (MIT)	0.0016	0.0052	0.1058
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0215	0.384	1
Brugia malayi	Cation transporter family protein	0.0215	0.384	0.5408
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0469	0.8665	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0052	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0215	0.384	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0491	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0491	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0016	0.0052	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0022	0.0168	0.0903
Echinococcus multilocularis	glycine receptor subunit beta	0.0215	0.384	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0215	0.384	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Trichomonas vaginalis	glucose transporter, putative	0.0034	0.0408	0.2197
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0408	0.2197
Onchocerca volvulus		0.0099	0.164	0.4193
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Echinococcus multilocularis	glycine receptor subunit beta	0.0215	0.384	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0033	0.0386	0.0931
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0459	0.2985
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0034	0.04	0.0385
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.1358	0.8837
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0215	0.384	1
Schistosoma mansoni	glucose transport protein	0.0111	0.1856	0.4832
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Trypanosoma cruzi	hexose transporter, putative	0.0016	0.0052	0.1058
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0215	0.384	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0224	0.021
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0116	0.1957	0.2755
Onchocerca volvulus		0.0099	0.164	0.4193
Echinococcus granulosus	glycine receptor subunit beta	0.0215	0.384	1
Brugia malayi	Cation transporter family protein	0.0215	0.384	0.5408
Echinococcus multilocularis	lysyl tRNA synthetase	0.0025	0.0225	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0268	0.0254
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0033	0.0386	0.0544
Brugia malayi	Cation transporter family protein	0.0215	0.384	0.5408
Leishmania major	hypothetical protein, conserved	0.0025	0.0224	0.4573
Leishmania major	hypothetical protein, conserved	0.0016	0.0052	0.1058
Schistosoma mansoni	nAChR subunit	0.0099	0.164	0.4272
Trypanosoma cruzi	glucose transporter, putative	0.0016	0.0052	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Entamoeba histolytica	protein kinase, putative	0.0034	0.04	0.1006
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0034	0.04	0.0461
Loa Loa (eye worm)	sugar transporter	0.0016	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0116	0.1957	0.5095
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0034	0.04	0.0703
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0099	0.164	0.231
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.04	0.104
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Loa Loa (eye worm)	hypothetical protein	0.0288	0.5218	0.521
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0016	0.0052	0.0338
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0179	0.3148	0.5536
Schistosoma mansoni	sugar transporter	0.0016	0.0052	0.0135
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0179	0.3148	0.3633
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0116	0.1957	0.2755
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0215	0.384	0.3831
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0225	0.0587
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0215	0.384	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0179	0.3148	0.3633
Onchocerca volvulus		0.0116	0.1957	0.5028
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0215	0.384	1
Trichomonas vaginalis	myo-inositol transporter, putative	0.0016	0.0052	0.028
Schistosoma mansoni	neurotransmitter gated ion channel	0.0099	0.164	0.4272
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0016	0.0052	0.0135
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0099	0.164	0.231
Trichomonas vaginalis	glucose transporter, putative	0.0034	0.0408	0.2197
Leishmania major	trypanothione reductase	0.0037	0.0459	0.9344
Loa Loa (eye worm)	ACC-1 protein	0.0215	0.384	0.3831
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0052	0.2304
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0033	0.0386	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Brugia malayi	excitatory GABA receptor EXP-1A	0.0215	0.384	0.5408
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0016	0.0052	0.006
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Onchocerca volvulus		0.0215	0.384	1
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0052	0.0135
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0215	0.384	0.5408
Echinococcus granulosus	lysyl tRNA synthetase	0.0025	0.0225	0.0587
Onchocerca volvulus		0.0215	0.384	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0034	0.04	0.0385
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0034	0.04	0.0703
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Trichomonas vaginalis	glucose transporter, putative	0.0016	0.0052	0.028
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0034	0.04	0.0461
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0021	0.0155	0.1007
Plasmodium vivax	proline--tRNA ligase, putative	0.0039	0.0491	0.0566
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.1536	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0215	0.384	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0215	0.384	1
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0491	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Plasmodium falciparum	hexose transporter	0.0111	0.1856	0.2142
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0033	0.0386	0.1006
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0052	0.2304
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0224	0.4573
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0016	0.0052	0.0135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0215	0.384	0.5408
Leishmania major	glucose transporter, lmgt3	0.0034	0.0408	0.8307
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.04	0.104
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0386	0.0372
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0459	0.0444
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0025	0.0225	0.459
Trypanosoma cruzi	hexose transporter	0.0034	0.0408	0.8307
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0099	0.164	0.231
Echinococcus granulosus	glycine receptor subunit beta	0.0215	0.384	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0034	0.04	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Schistosoma mansoni	protein kinase	0.0034	0.04	0.104
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0408	0.8307
Brugia malayi	hypothetical protein	0.0099	0.164	0.231
Trypanosoma brucei	glucose transporter 1E	0.0034	0.0408	0.8307
Schistosoma mansoni	acetylcholine receptor-related	0.0099	0.164	0.4272
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Onchocerca volvulus		0.0215	0.384	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0034	0.04	0.0563
Loa Loa (eye worm)	sugar transporter	0.0111	0.1856	0.1843
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0099	0.164	0.1628
Brugia malayi	glutathione reductase	0.0037	0.0459	0.0646
Loa Loa (eye worm)	LGC-31 protein	0.0215	0.384	0.3831
Echinococcus granulosus	General substrate transporter	0.0095	0.1561	0.4064
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0215	0.384	1
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0025	0.0225	0.1214
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0116	0.1957	0.5095
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Giardia lamblia	Sugar-proton symporter	0.0016	0.0052	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Schistosoma mansoni	neurotransmitter gated ion channel	0.0116	0.1957	0.5095
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Treponema pallidum	NADH oxidase	0.0013	0	0.5
Echinococcus granulosus	nAChR subunit	0.0116	0.1957	0.5095
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0033	0.0386	0.2083
Brugia malayi	hypothetical protein	0.0016	0.0052	0.0073
Brugia malayi	hypothetical protein	0.0099	0.164	0.231
Loa Loa (eye worm)	hypothetical protein	0.0215	0.384	0.3831
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0052	0.0073
Echinococcus granulosus	solute carrier family 22	0.0016	0.0052	0.0135
Brugia malayi	major facilitator superfamily protein	0.0016	0.0052	0.0073
Onchocerca volvulus		0.0116	0.1957	0.5028
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Brugia malayi	Sugar transporter family protein	0.0016	0.0052	0.0073
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0224	0.0395
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0408	0.8307
Trichomonas vaginalis	CAMK family protein kinase	0.0034	0.04	0.2153
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1957	0.1944
Brugia malayi	hypothetical protein	0.0025	0.0224	0.0316
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0111	0.1856	0.4832
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0025	0.0225	0.459
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0034	0.04	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Schistosoma mansoni	nAChR subunit	0.0215	0.384	1
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0215	0.384	0.3831
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Schistosoma mansoni	protein kinase	0.0034	0.04	0.104
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0225	0.0587
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0021	0.0155	0.1007
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Entamoeba histolytica	hypothetical protein	0.0116	0.1957	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0034	0.04	0.0703
Brugia malayi	hypothetical protein	0.0016	0.0052	0.0073
Brugia malayi	Thioredoxin reductase	0.0037	0.0459	0.0646
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0491	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0037
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.1536	1
Plasmodium falciparum	proline--tRNA ligase	0.0039	0.0491	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0099	0.164	0.1628
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0099	0.164	0.4272
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0408	0.8307
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0025	0.0225	0.0511
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0116	0.1957	0.2755
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0224	0.4573
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0052	0.028
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0099	0.164	0.4272
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0408	0.2197
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0215	0.384	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0215	0.384	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0215	0.384	0.5408

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 15 %	Inhibition of P-Selectin by Biacore assay at 250 uM	ChEMBL.	17201409
Inhibition (binding)	= 15 %	Inhibition of P-Selectin by Biacore assay at 250 uM	ChEMBL.	17201409

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

PubChem: 16100100

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 410388