TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.524 | Formula: C24H33NO3
H donors: 1 H acceptors: 1 LogP: 4.16 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(c1ccccc1OCC(CN1CCCCC1)O)CCc1ccccc1
InChi: 1S/C24H33NO3/c1-27-23(15-14-20-10-4-2-5-11-20)22-12-6-7-13-24(22)28-19-21(26)18-25-16-8-3-9-17-25/h2,4-7,10-13,21,23,26H,3,8-9,14-19H2,1H3
InChiKey: IBROBEZGYAHQTA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATP-binding cassette, sub-family B (MDR/TAP), member 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glycoprotein-2	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	Get druggable targets OG5_126596	All targets in OG5_126596
Onchocerca volvulus		Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania donovani	p-glycoprotein	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 3, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	taga, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Plasmodium falciparum	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Bile salt export pump, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Plasmodium knowlesi	multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Cryptosporidium hominis	ATP-binding cassette protein 3	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Neospora caninum	hypothetical protein	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania mexicana	p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glyco protein 6, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ABC transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma mansoni	multidrug resistance protein	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Neospora caninum	ATP-binding cassette, sub-family B (MDR/TAP), member 4, related	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	Get druggable targets OG5_126596	All targets in OG5_126596
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma mansoni	multidrug resistance protein	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania infantum	ATP-binding cassette protein subfamily B, member 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma mansoni	multidrug resistance protein	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania braziliensis	p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	ATP-binding cassette sub-family B member 5, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma mansoni	smdr2	Get druggable targets OG5_126596	All targets in OG5_126596
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ABC transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania infantum	p-glycoprotein	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ATP-binding cassette transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glycoprotein 5, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ABC transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ATP-binding cassette transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	Get druggable targets OG5_126596	All targets in OG5_126596
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	ATP binding cassette sub family B	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glycoprotein-1	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 3, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	abcb9, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Brugia malayi	multidrug resistance protein 3	Get druggable targets OG5_126596	All targets in OG5_126596
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	abcb9, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glycoprotein-5	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glycoprotein-2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Plasmodium berghei	multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ABC transporter, half transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania mexicana	p-glycoprotein	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania donovani	ATP-binding cassette protein subfamily B, member 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Entamoeba histolytica	P-glycoprotein-2	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Plasmodium vivax	multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ABC transporter, half transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 2, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	abcb9, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	Get druggable targets OG5_126596	All targets in OG5_126596
Leishmania major	p-glycoprotein	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ATP-binding cassette transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Loa Loa (eye worm)	multidrug resistance protein 3	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Echinococcus granulosus	multidrug resistance protein 1	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ABC transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Schistosoma japonicum	Multidrug resistance protein 1, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ATP-binding cassette transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Candida albicans	potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ATP-binding cassette transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Plasmodium yoelii	multidrug resistance protein	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	ATP-binding cassette transporter, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Cryptosporidium parvum	ATP-binding cassette transporter	Get druggable targets OG5_126596	All targets in OG5_126596
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	Get druggable targets OG5_126596	All targets in OG5_126596
Brugia malayi	ABC transporter family protein	Get druggable targets OG5_126596	All targets in OG5_126596

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	pol-related	0.0297	0.9147	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Schistosoma mansoni	potassium channel beta	0.0086	0.2362	0.2578
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0256	0.0275
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0256	0.1068
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0936	0.0932
Brugia malayi	beta-lactamase family protein	0.0042	0.0936	0.1019
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Echinococcus granulosus	multidrug resistance protein 1	0.0013	0.0004	0.0005
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0004	0.0005
Echinococcus multilocularis	multidrug resistance protein 1	0.0013	0.0004	0.0005
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0297	0.9147	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0936	0.0932
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0004	0.0005
Mycobacterium ulcerans	lipase LipD	0.0042	0.0936	0.0765
Onchocerca volvulus		0.0042	0.0936	0.1019
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0936	0.1019
Echinococcus granulosus	geminin	0.0196	0.5908	0.646
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0004	0.0005
Onchocerca volvulus		0.0042	0.0936	0.1019
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0158	0.4678	0.4557
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Echinococcus granulosus	multidrug resistance protein 1	0.0013	0.0004	0.0005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1223	0.1337
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0936	0.1019
Schistosoma mansoni	aldo-keto reductase	0.0297	0.9147	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0297	0.9147	1
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0936	0.0765
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0256	0.028
Plasmodium vivax	aldehyde reductase, putative	0.0086	0.2362	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0256	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0266	0.8165	0.8927
Echinococcus multilocularis	aldo keto reductase	0.0297	0.9147	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0086	0.2362	0.2578
Giardia lamblia	Fructose-bisphosphate aldolase	0.0323	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1223	0.1337
Onchocerca volvulus		0.0086	0.2362	0.2578
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0936	0.0932
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0086	0.2362	0.2578
Echinococcus granulosus	aldehyde reductase	0.0211	0.638	0.6975
Trichomonas vaginalis	aldo/keto reductase, putative	0.0297	0.9147	0.9146
Trypanosoma brucei	aldo/keto reductase, putative	0.0086	0.2362	0.2368
Onchocerca volvulus		0.0042	0.0936	0.1019
Trypanosoma cruzi	aldo-keto reductase	0.0297	0.9147	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0004	0.0005
Schistosoma mansoni	ap endonuclease	0.0021	0.0256	0.0275
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0086	0.2362	0.2358
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0936	0.1024
Onchocerca volvulus		0.0297	0.9147	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0256	0.0252
Trichomonas vaginalis	aldo-keto reductase, putative	0.0086	0.2362	0.2358
Treponema pallidum	fructose-bisphosphate aldolase	0.0323	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0297	0.9147	0.9146
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0086	0.2362	0.2578
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0086	0.2362	0.2582
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Leishmania major	aldo-keto reductase-like protein	0.0297	0.9147	1
Mycobacterium ulcerans	oxidoreductase	0.0297	0.9147	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0936	0.1024
Mycobacterium ulcerans	hypothetical protein	0.0086	0.2362	0.2368
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0013	0.0004	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0936	0.1024
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0323	1	1
Toxoplasma gondii	exonuclease III APE	0.0021	0.0256	0.0275
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0936	0.1019
Mycobacterium leprae	Conserved hypothetical protein	0.0211	0.638	0.663
Echinococcus granulosus	aldo keto reductase	0.0297	0.9147	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0936	0.0932
Trypanosoma brucei	prostaglandin f synthase	0.0297	0.9147	1
Entamoeba histolytica	aldose reductase, putative	0.0297	0.9147	0.9146
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0936	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0297	0.9147	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1223	0.1333
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0936	0.1019
Brugia malayi	beta-lactamase family protein	0.0042	0.0936	0.1019
Mycobacterium leprae	Possible oxidoreductase	0.0086	0.2362	0.1736
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0297	0.9147	1
Loa Loa (eye worm)	oxidoreductase	0.0297	0.9147	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0086	0.2362	0.2358
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0256	0.028
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0936	0.1024
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0936	0.1019
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Loa Loa (eye worm)	oxidoreductase	0.0297	0.9147	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1223	0.1333
Brugia malayi	beta-lactamase	0.0042	0.0936	0.1019
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0936	0.1024
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0004	0.0005
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0004	0.0005
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0004	0.0005
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0297	0.9147	1
Leishmania major	hypothetical protein, conserved	0.0042	0.0936	0.1019
Echinococcus granulosus	voltage gated potassium channel subunit	0.0086	0.2362	0.2582
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0256	0.1068
Echinococcus granulosus	aldo keto reductase	0.0297	0.9147	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0086	0.2362	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Echinococcus multilocularis	aldehyde reductase	0.0211	0.638	0.6975
Schistosoma mansoni	aldo-keto reductase	0.0297	0.9147	1
Toxoplasma gondii	aldo-keto reductase	0.0086	0.2362	0.2578
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0936	0.0765
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0936	0.0765
Echinococcus granulosus	aldo keto reductase	0.0297	0.9147	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0256	0.0275
Loa Loa (eye worm)	oxidoreductase	0.0297	0.9147	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1223	0.1333
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0936	0.1024
Loa Loa (eye worm)	oxidoreductase	0.0297	0.9147	1
Leishmania major	prostaglandin f synthase, putative	0.0297	0.9147	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0936	0.1019
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0158	0.4678	0.4973
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0086	0.2362	0.2578
Onchocerca volvulus		0.0297	0.9147	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0297	0.9147	0.9146
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0297	0.9147	0.9146
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0086	0.2362	0.2358
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0297	0.9147	1
Giardia lamblia	Aldose reductase	0.0297	0.9147	0.9124
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0936	0.1024
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.2362	0.2358
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0004	0.0005
Trypanosoma cruzi	aldo/keto reductase, putative	0.0297	0.9147	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0936	0.1019
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0004	0.0005
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1223	0.1337
Echinococcus granulosus	multidrug resistance protein 1	0.0013	0.0004	0.0005
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0004	0.0005
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0004	0.0005
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0297	0.9147	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0013	0.0004	0.0005
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0013	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0936	0.1024
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0086	0.2362	0.2582
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0936	0.1019
Trichomonas vaginalis	aldo-keto reductase, putative	0.0086	0.2362	0.2358
Mycobacterium tuberculosis	Conserved protein	0.0086	0.2362	0.2578
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1223	0.1337
Echinococcus multilocularis	aldo keto reductase	0.0297	0.9147	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0297	0.9147	0.9146
Plasmodium falciparum	aldehyde reductase, putative	0.0086	0.2362	1
Echinococcus multilocularis	geminin	0.0196	0.5908	0.646
Trichomonas vaginalis	esterase, putative	0.0042	0.0936	0.0932
Echinococcus multilocularis	aldo keto reductase	0.0297	0.9147	1
Onchocerca volvulus		0.0297	0.9147	1
Schistosoma mansoni	hypothetical protein	0.0196	0.5908	0.6458
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0936	0.3954
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0297	0.9147	1
Onchocerca volvulus		0.0297	0.9147	1
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0936	0.1019
Loa Loa (eye worm)	oxidoreductase	0.0297	0.9147	1
Echinococcus granulosus	hypothetical protein	0.0297	0.9147	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0086	0.2362	0.2582
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0158	0.4678	0.5112
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Toxoplasma gondii	aldose reductase, putative	0.0297	0.9147	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0086	0.2362	0.2578
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1223	0.1333
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Loa Loa (eye worm)	multidrug resistance protein 3	0.0013	0.0004	0.0005
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1223	0.1337
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0256	0.0275
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0086	0.2362	0.2368
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0936	0.0765
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0936	0.0932
Entamoeba histolytica	aldose reductase, putative	0.0297	0.9147	0.9146
Trichomonas vaginalis	aldo-keto reductase, putative	0.0297	0.9147	0.9146
Plasmodium falciparum	aldo-keto reductase, putative	0.0086	0.2362	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0297	0.9147	0.9146
Giardia lamblia	Aldose reductase	0.0297	0.9147	0.9124
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0936	0.1024
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0936	0.1019
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0256	0.0252
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0936	0.0765
Schistosoma mansoni	ap endonuclease	0.0021	0.0256	0.0275
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0936	0.1019
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0936	0.1019
Onchocerca volvulus		0.0297	0.9147	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0297	0.9147	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0936	0.1019
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0297	0.9147	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0256	0.028
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0297	0.9147	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0297	0.9147	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0936	0.1024
Onchocerca volvulus		0.0297	0.9147	1
Echinococcus multilocularis	aldo keto reductase	0.0297	0.9147	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0936	0.0765
Trichomonas vaginalis	aldo-keto reductase, putative	0.0086	0.2362	0.2358
Schistosoma mansoni	hypothetical protein	0.0196	0.5908	0.6458
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	1	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0936	0.0765
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0256	0.0252
Entamoeba histolytica	aldose reductase, putative	0.0297	0.9147	0.9146

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 4.3	Calculated partition coefficient (clogP) (Molgen)	ChEMBL.	14584949
clogP	= 4.89	Calculated partition coefficient (clogP) (HINT)	ChEMBL.	14584949
EC50 (binding)	= 0.173 uM	Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay	ChEMBL.	17352460
EC50 (binding)	= 0.173 uM	Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay	ChEMBL.	17352460
IC50 (functional)	= 0.77 uM	In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line	ChEMBL.	14584949
IC50 (functional)	= 0.77 uM	In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line	ChEMBL.	14584949

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	14584949

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

Annotated phenotypes:

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

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

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL146558

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 254209