TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1137.49 | Formula: C61H100N8O12
H donors: 4 H acceptors: 10 LogP: 9.27 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CC[C@H]([C@@H]1OC(=O)[C@@H](N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](N(C(=O)[C@H](NC(=O)[C@H](N(C1=O)C)C(C)C)Cc1ccc(cc1)OCC1CCCCC1)C)C)CCC2)[C@H](CC)C)C(O)(C)C)C
InChi: 1S/C61H100N8O12/c1-18-38(9)47-58(76)66(15)48(36(5)6)53(71)62-44(32-35(3)4)57(75)68(17)51(61(12,13)79)60(78)81-50(39(10)19-2)59(77)67(16)49(37(7)8)54(72)63-45(33-41-27-29-43(30-28-41)80-34-42-24-21-20-22-25-42)56(74)65(14)40(11)55(73)69-31-23-26-46(69)52(70)64-47/h27-30,35-40,42,44-51,79H,18-26,31-34H2,1-17H3,(H,62,71)(H,63,72)(H,64,70)/t38?,39?,40-,44+,45+,46+,47+,48+,49+,50-,51-/m1/s1
InChiKey: GIGJYVWJODXLEM-BHMVQLESSA-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
Mycobacterium ulcerans	ketoacyl reductase	0.0012	0.065	0.5
Schistosoma mansoni	multidrug resistance protein	0.0013	0.0728	0.0084
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0013	0.0728	1
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0012	0.065	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0012	0.065	0.065
Echinococcus multilocularis	carbonyl reductase 1	0.0012	0.065	0.065
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Schistosoma mansoni	multidrug resistance protein	0.0013	0.0728	0.0084
Echinococcus granulosus	oxidoreductase	0.0012	0.065	0.065
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Echinococcus granulosus	retinol dehydrogenase 11	0.0012	0.065	0.065
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.065	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0012	0.065	0.8918
Echinococcus multilocularis	tar DNA binding protein	0.0062	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0012	0.065	0.5
Giardia lamblia	Hypothetical protein	0.0012	0.065	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0728	0.0728
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0012	0.065	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0728	0.0728
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0012	0.065	0.065
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0013	0.0728	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0013	0.0728	0.5
Entamoeba histolytica	P-glycoprotein-1	0.0013	0.0728	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0013	0.0728	0.0084
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0013	0.0728	1
Trichomonas vaginalis	abcb9, putative	0.0013	0.0728	1
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Brugia malayi	TAR-binding protein	0.0062	1	1
Echinococcus granulosus	carbonyl reductase 1	0.0012	0.065	0.065
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0012	0.065	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0012	0.065	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0012	0.065	0.065
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0012	0.065	0.5
Echinococcus granulosus	multidrug resistance protein 1	0.0013	0.0728	0.0728
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0012	0.065	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0012	0.065	0.065
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Schistosoma mansoni	smdr2	0.0013	0.0728	0.0084
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0012	0.065	0.8918
Trichomonas vaginalis	ABC transporter, putative	0.0013	0.0728	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0728	0.0728
Echinococcus multilocularis	retinol dehydrogenase 11	0.0012	0.065	0.065
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	1	1
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0012	0.065	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0012	0.065	0.065
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Echinococcus multilocularis	multidrug resistance protein 1	0.0013	0.0728	0.0728
Trichomonas vaginalis	taga, putative	0.0013	0.0728	1
Loa Loa (eye worm)	RNA binding protein	0.0062	1	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0012	0.065	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0012	0.065	0.5
Trichomonas vaginalis	abcb9, putative	0.0013	0.0728	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Mycobacterium ulcerans	oxidoreductase	0.0012	0.065	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0013	0.0728	1
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0012	0.065	0.065
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0013	0.0702	0.0702
Echinococcus granulosus	multidrug resistance protein 1	0.0013	0.0728	0.0728
Echinococcus multilocularis	retinol dehydrogenase 13	0.0012	0.065	0.065
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.065	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0012	0.065	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0012	0.065	0.5
Mycobacterium ulcerans	dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0012	0.065	0.8918
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0012	0.065	0.8918
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0012	0.065	0.065
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0012	0.065	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0012	0.065	0.065
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Schistosoma mansoni	tar DNA-binding protein	0.0062	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0012	0.065	0.5
Plasmodium vivax	multidrug resistance protein 1, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Echinococcus granulosus	hypothetical protein	0.0012	0.065	0.065
Brugia malayi	multidrug resistance protein 3	0.0013	0.0728	0.0084
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0012	0.065	0.065
Entamoeba histolytica	P-glycoprotein-5	0.0013	0.0728	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0728	0.0728
Echinococcus multilocularis	oxidoreductase	0.0012	0.065	0.065
Brugia malayi	ABC transporter family protein	0.0013	0.0728	0.0084
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0728	0.0728
Giardia lamblia	Short-chain dehydrogenase, putative	0.0012	0.065	0.5
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0013	0.0702	0.0702
Schistosoma mansoni	multidrug resistance protein	0.0013	0.0728	0.0084
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	1	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Echinococcus granulosus	steroid dehydrogenase	0.0012	0.065	0.065
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0012	0.065	0.5
Giardia lamblia	Reductase, putative	0.0012	0.065	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0012	0.065	0.065
Loa Loa (eye worm)	TAR-binding protein	0.0062	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0728	0.0728
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0013	0.0728	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0013	0.0728	1
Mycobacterium leprae	Probable oxidoreductase	0.0012	0.065	0.5
Entamoeba histolytica	P-glycoprotein 5, putative	0.0013	0.0728	1
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	1	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0012	0.065	0.065
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0012	0.065	0.065
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0013	0.0728	1
Trypanosoma brucei	oxidoreductase-like protein	0.0012	0.065	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0013	0.0728	1
Echinococcus granulosus	hypothetical protein	0.0012	0.065	0.065
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0012	0.065	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Echinococcus granulosus	carbonyl reductase 1	0.0012	0.065	0.065
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0728	0.0084
Mycobacterium ulcerans	oxidoreductase	0.0012	0.065	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0012	0.065	0.065
Echinococcus multilocularis	multidrug resistance protein 1	0.0013	0.0728	0.0728
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0013	0.0728	0.0728
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.065	0.5
Plasmodium falciparum	multidrug resistance protein 1	0.0013	0.0728	1
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0012	0.065	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0728	0.0728
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0012	0.065	0.065
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0012	0.065	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0012	0.065	0.065
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0013	0.0728	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Entamoeba histolytica	P-glyco protein 6, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0728	0.0084
Mycobacterium ulcerans	dehydrogenase/reductase	0.0012	0.065	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.065	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0062	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.065	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0012	0.065	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.0012	0.065	0.065
Entamoeba histolytica	P-glycoprotein-2	0.0013	0.0728	1
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0012	0.065	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0013	0.0728	1
Echinococcus granulosus	WW domain containing oxidoreductase	0.0012	0.065	0.065
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0012	0.065	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0012	0.065	0.065
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0012	0.065	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0012	0.065	0.5
Loa Loa (eye worm)	multidrug resistance protein 3	0.0013	0.0728	0.0084
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	abcb9, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0013	0.0728	1
Onchocerca volvulus		0.0013	0.0728	1
Echinococcus granulosus	carbonyl reductase 1	0.0012	0.065	0.065
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0013	0.0728	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0012	0.065	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0012	0.065	0.5
Leishmania major	p-glycoprotein	0.0013	0.0728	1
Entamoeba histolytica	P-glycoprotein-2	0.0013	0.0728	1
Trichomonas vaginalis	ABC transporter, putative	0.0013	0.0728	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0012	0.065	0.8918
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0012	0.065	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0013	0.0728	0.0728
Echinococcus multilocularis	carbonyl reductase 1	0.0012	0.065	0.065
Entamoeba histolytica	P-glycoprotein-2, putative	0.0013	0.0728	1
Echinococcus granulosus	multidrug resistance protein 1	0.0013	0.0728	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0702	0.0056
Echinococcus multilocularis	carbonyl reductase 1	0.0012	0.065	0.065
Mycobacterium ulcerans	short chain dehydrogenase	0.0012	0.065	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0013	0.0728	1
Echinococcus granulosus	tar DNA binding protein	0.0062	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC20 (binding)	= 0.64 uM	Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells.	ChEMBL.	10891114
IC50 (binding)	= 2.11 uM	Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells.	ChEMBL.	10891114
MIC (functional)	= 1.6 ug ml-1	Minimum growth-inhibitory concentration against S. cerevisiae ATCC 9763 by agar dilution method by the suspension of a fungi containing ~5 x 10e (7) cells/mL.	ChEMBL.	10891114
Pgp AbA/analogue ratio (functional)	= 0.25	Relative Pgp inhibitory activity (in Human MDR1 cells) compared to AbA	ChEMBL.	10891114
Pgp AbA/analogue ratio (functional)	= 1	Direct comparison of the antifungal activities with the relative Pgp-inhibitory potencies, calculated by comparing microg/mL IC50(or IC20).	ChEMBL.	10891114

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: 238419

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 401072