TDR Targets

Basic information

Technical information

TDR Targets ID: 1421109
Name: ethyl 5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nona n-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carb oxylate
MW: 361.392 | Formula: C18H23N3O5
H donors: 2 H acceptors: 4 LogP: 1.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(C)[nH]c(c1C)C(=O)CN1C(=O)NC2(C1=O)CCCC2
InChi: 1S/C18H23N3O5/c1-4-26-15(23)13-10(2)14(19-11(13)3)12(22)9-21-16(24)18(20-17(21)25)7-5-6-8-18/h19H,4-9H2,1-3H3,(H,20,25)
InChiKey: RDPYDFPVMMWUSE-UHFFFAOYSA-N

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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

5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
5-[2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
ethyl 5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ZINC03301195
MLS001019023
SMR000363377

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	tar DNA binding protein	0.0827	1	1
Trypanosoma brucei	p-glycoprotein	0.021	0.1957	0.4043
Brugia malayi	ABC transporter transmembrane region family protein	0.021	0.1957	0.194
Brugia malayi	ABC transporter family protein	0.035	0.3781	0.3768
Loa Loa (eye worm)	hypothetical protein	0.021	0.1957	0.194
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.021	0.1957	0.2326
Loa Loa (eye worm)	hypothetical protein	0.0649	0.7679	0.7674
Giardia lamblia	ABC transporter, putative	0.021	0.1957	0.059
Echinococcus granulosus	expressed conserved protein	0.0112	0.0676	0.0676
Trichomonas vaginalis	abcb9, putative	0.0661	0.7833	1
Trypanosoma brucei	multidrug resistance protein E	0.021	0.1957	0.4043
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0794	0.0794
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.021	0.1957	0.2326
Entamoeba histolytica	hypothetical protein	0.021	0.1957	0.2478
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.021	0.1957	0.2326
Schistosoma mansoni	smdr2	0.0661	0.7833	0.7833
Echinococcus granulosus	ATP binding cassette sub family G	0.0411	0.4582	0.4582
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0198	0.1802	0.1802
Toxoplasma gondii	ABC transporter family protein	0.021	0.1957	0.2326
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0104	0.0573	0.0554
Leishmania major	pentamidine resistance protein 1	0.021	0.1957	0.2326
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0104	0.0573	0.0554
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.021	0.1957	0.2326
Entamoeba histolytica	ATP-binding cassette protein, putative	0.021	0.1957	0.2478
Echinococcus multilocularis	ATP binding cassette sub family G	0.0411	0.4582	0.4582
Schistosoma mansoni	ABC transporter	0.035	0.3781	0.3781
Plasmodium falciparum	ABC transporter G family member 2	0.0411	0.4582	0.527
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0242	0.2379	0.2379
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.021	0.1957	0.1452
Plasmodium vivax	ABC transporter B family member 7, putative	0.021	0.1957	0.1452
Brugia malayi	P-glycoprotein-like protein	0.021	0.1957	0.194
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.1435	0.1435
Entamoeba histolytica	multidrug resistance protein, putative	0.021	0.1957	0.2478
Schistosoma mansoni	tar DNA-binding protein	0.0827	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0661	0.7833	0.7833
Trichomonas vaginalis	ABC transporter, putative	0.0661	0.7833	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.021	0.1957	0.059
Schistosoma mansoni	smdr1	0.021	0.1957	0.1957
Plasmodium falciparum	ABC transporter B family member 5, putative	0.021	0.1957	0.1452
Schistosoma mansoni	multidrug resistance protein	0.021	0.1957	0.1957
Echinococcus granulosus	ATP binding cassette sub family B	0.021	0.1957	0.1957
Schistosoma mansoni	multidrug resistance protein	0.021	0.1957	0.1957
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0827	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.021	0.1957	0.194
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0661	0.7833	1
Loa Loa (eye worm)	RNA binding protein	0.0827	1	1
Entamoeba histolytica	ABC transporter, putative	0.0411	0.4582	0.5838
Echinococcus granulosus	multidrug resistance protein 1	0.0463	0.5251	0.5251
Trichomonas vaginalis	abcb9, putative	0.0661	0.7833	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.077	0.077
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.021	0.1957	0.2478
Brugia malayi	ABC transporter family protein	0.021	0.1957	0.194
Brugia malayi	latrophilin 2 splice variant baaae	0.0224	0.2144	0.2128
Schistosoma mansoni	multidrug resistance protein	0.021	0.1957	0.1957
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.021	0.1957	0.4246
Echinococcus multilocularis	ATP binding cassette sub family B	0.021	0.1957	0.1957
Echinococcus granulosus	ATP binding cassette sub family G	0.0411	0.4582	0.4582
Echinococcus granulosus	ATP binding cassette sub family G	0.0411	0.4582	0.4582
Loa Loa (eye worm)	hypothetical protein	0.021	0.1957	0.194
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0242	0.2379	0.2379
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0328	0.3498	0.3484
Schistosoma mansoni	tar DNA-binding protein	0.0827	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0411	0.4582	1
Toxoplasma gondii	ABC transporter, putative	0.021	0.1957	0.2326
Loa Loa (eye worm)	MH2 domain-containing protein	0.0511	0.5877	0.5868
Brugia malayi	TAR-binding protein	0.0827	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0661	0.7833	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0133	0.0959	0.2057
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0242	0.2379	0.2363
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.0411	0.4582	0.5754
Echinococcus multilocularis	ATP binding cassette sub family B	0.0649	0.7679	0.7679
Loa Loa (eye worm)	multidrug resistance protein 3	0.0661	0.7833	0.7829
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0242	0.2379	0.2379
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0242	0.2379	0.2379
Echinococcus multilocularis	ATP binding cassette sub family G	0.0411	0.4582	0.4582
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0661	0.7833	0.7833
Trypanosoma cruzi	ATP-binding cassette protein subfamily G	0.0073	0.0176	0.0339
Giardia lamblia	MRP-like ABC transporter	0.021	0.1957	0.059
Plasmodium vivax	ABC transporter B family member 4, putative	0.021	0.1957	0.1452
Schistosoma mansoni	hypothetical protein	0.0104	0.0573	0.0573
Toxoplasma gondii	LsmAD domain-containing protein	0.0133	0.0959	0.1023
Brugia malayi	ABC transporter transmembrane region family protein	0.0198	0.1802	0.1785
Echinococcus multilocularis	GPCR, family 2	0.0104	0.0573	0.0573
Trichomonas vaginalis	ABC transporter, putative	0.0661	0.7833	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.021	0.1957	0.1957
Brugia malayi	RNA recognition motif domain containing protein	0.0827	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.021	0.1957	0.2326
Plasmodium vivax	ABC transporter B family member 3, putative	0.021	0.1957	0.1452
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.021	0.1957	0.2326
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.021	0.1957	0.4043
Entamoeba histolytica	P-glyco protein 6, putative	0.0661	0.7833	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0242	0.2379	0.2379
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0661	0.7833	0.7833
Echinococcus multilocularis	tar DNA binding protein	0.0827	1	1
Plasmodium vivax	ABC transporter B family member 6, putative	0.021	0.1957	0.1452
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.021	0.1957	0.2326
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0242	0.2379	0.2379
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.021	0.1957	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0661	0.7833	0.7829
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.021	0.1957	0.194
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0104	0.0573	0.0573
Trichomonas vaginalis	abcb9, putative	0.0661	0.7833	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.021	0.1957	0.4246
Entamoeba histolytica	P-glycoprotein-2	0.0661	0.7833	1
Trypanosoma cruzi	ABC transporter, putative	0.0411	0.4582	1
Leishmania major	p-glycoprotein	0.0661	0.7833	1
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.021	0.1957	0.4246
Plasmodium vivax	ABC transporter B family member 5, putative	0.021	0.1957	0.1452
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.021	0.1957	0.4246
Plasmodium falciparum	ABC transporter B family member 6, putative	0.021	0.1957	0.1452
Trypanosoma brucei	PAB1-binding protein , putative	0.0133	0.0959	0.1778
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0338	0.3626	0.4615
Loa Loa (eye worm)	hypothetical protein	0.021	0.1957	0.194
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0328	0.3498	0.3484
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0661	0.7833	1
Echinococcus granulosus	multidrug resistance protein 1	0.0661	0.7833	0.7833
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0661	0.7833	0.7833
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0242	0.2379	0.2379
Loa Loa (eye worm)	hypothetical protein	0.0198	0.1802	0.1785
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0661	0.7833	0.7833
Echinococcus granulosus	ATP binding cassette sub family B	0.0198	0.1802	0.1802
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.021	0.1957	0.4246
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.021	0.1957	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0511	0.5877	0.5868
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0411	0.4582	1
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.0411	0.4582	0.5754
Onchocerca volvulus		0.0239	0.2338	0.1744
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.021	0.1957	0.2326
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.021	0.1957	0.4246
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Plasmodium falciparum	ABC transporter B family member 4, putative	0.021	0.1957	0.1452
Brugia malayi	multidrug resistance related protein 1	0.021	0.1957	0.194
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.021	0.1957	0.2326
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0411	0.4582	0.4582
Giardia lamblia	Multidrug resistance-associated protein 1	0.021	0.1957	0.059
Brugia malayi	hypothetical protein	0.015	0.1178	0.116
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.021	0.1957	0.5
Entamoeba histolytica	P-glycoprotein-5	0.0661	0.7833	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0661	0.7833	0.7833
Loa Loa (eye worm)	hypothetical protein	0.0328	0.3498	0.3484
Entamoeba histolytica	P-glycoprotein 6, putative	0.021	0.1957	0.2478
Loa Loa (eye worm)	ABC transporter	0.035	0.3781	0.3768
Schistosoma mansoni	hypothetical protein	0.0224	0.2144	0.2144
Loa Loa (eye worm)	ABC transporter	0.021	0.1957	0.194
Brugia malayi	multidrug resistance protein 3	0.0661	0.7833	0.7829
Schistosoma mansoni	multidrug resistance protein	0.0661	0.7833	0.7833
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0035	0.0014
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.021	0.1957	0.1957
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0176	0.0339
Entamoeba histolytica	P-glycoprotein 6, putative	0.021	0.1957	0.2478
Brugia malayi	Pax transcription factor protein 2	0.0239	0.2338	0.2323
Onchocerca volvulus		0.0661	0.7833	1
Entamoeba histolytica	P-glycoprotein-2	0.0661	0.7833	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.021	0.1957	0.4246
Echinococcus granulosus	multidrug resistance associated protein 1	0.021	0.1957	0.1957
Trypanosoma cruzi	ABC transporter, putative	0.0073	0.0176	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0119	0.077	0.0751
Plasmodium falciparum	multidrug resistance protein 1	0.0661	0.7833	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0661	0.7833	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0411	0.4582	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0661	0.7833	0.7829
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0661	0.7833	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0661	0.7833	0.5
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.077	0.0751
Entamoeba histolytica	P-glycoprotein-2, putative	0.0198	0.1802	0.228
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.021	0.1957	0.2326
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0661	0.7833	0.7833
Brugia malayi	ABC transporter	0.021	0.1957	0.194
Plasmodium falciparum	multidrug resistance-associated protein 2	0.021	0.1957	0.1452
Echinococcus multilocularis		0.021	0.1957	0.1957
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0661	0.7833	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.021	0.1957	0.194
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.021	0.1957	0.1452
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.0411	0.4582	0.5754
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0661	0.7833	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0176	0.0339
Trichomonas vaginalis	ABC transporter, putative	0.0661	0.7833	1
Plasmodium vivax	multidrug resistance protein 2, putative	0.021	0.1957	0.1452
Entamoeba histolytica	P-glycoprotein 5, putative	0.0198	0.1802	0.228
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0649	0.7679	0.7679
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.021	0.1957	0.2326
Echinococcus granulosus	GPCR family 2	0.0104	0.0573	0.0573
Trichomonas vaginalis	taga, putative	0.0661	0.7833	1
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0411	0.4582	1
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.021	0.1957	0.4043
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.021	0.1957	0.2478
Plasmodium falciparum	ABC transporter B family member 3, putative	0.021	0.1957	0.1452
Loa Loa (eye worm)	hypothetical protein	0.015	0.1178	0.116
Schistosoma mansoni	hypothetical protein	0.0338	0.3626	0.3626
Entamoeba histolytica	ATP-binding cassette protein, putative	0.021	0.1957	0.2478
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0676	0.0676
Schistosoma mansoni	tar DNA-binding protein	0.0827	1	1
Entamoeba histolytica	ABC transporter, putative	0.021	0.1957	0.2478
Loa Loa (eye worm)	hypothetical protein	0.0224	0.2144	0.2128
Echinococcus multilocularis	multidrug resistance protein 1	0.0661	0.7833	0.7833
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0661	0.7833	0.7833
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0104	0.0573	0.0573
Schistosoma mansoni	hypothetical protein	0.0104	0.0573	0.0573
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.021	0.1957	0.2326
Echinococcus granulosus	ATP binding cassette sub family B	0.021	0.1957	0.1957
Echinococcus multilocularis	ATP binding cassette sub family B	0.021	0.1957	0.1957
Brugia malayi	MH2 domain containing protein	0.0511	0.5877	0.5868
Echinococcus granulosus	multidrug resistance associated protein 7	0.021	0.1957	0.1957
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0242	0.2379	0.2363
Brugia malayi	ABC transporter family protein	0.021	0.1957	0.194
Entamoeba histolytica	ATP-binding cassette protein, putative	0.021	0.1957	0.2478
Schistosoma mansoni	ABC transporter	0.0061	0.0021	0.0021
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.021	0.1957	0.0257
Entamoeba histolytica	P-glycoprotein-1	0.0661	0.7833	1
Loa Loa (eye worm)	pax transcription factor protein 2	0.0239	0.2338	0.2323
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.021	0.1957	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0661	0.7833	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0661	0.7833	1
Leishmania major	p-glycoprotein e	0.021	0.1957	0.2326
Trypanosoma cruzi	PAB1-binding protein , putative	0.0133	0.0959	0.2057
Trichomonas vaginalis	ABC transporter, putative	0.0661	0.7833	1
Schistosoma mansoni	hypothetical protein	0.0104	0.0573	0.0573
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0463	0.5251	0.5718
Loa Loa (eye worm)	ABC transporter	0.021	0.1957	0.194
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0104	0.0573	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0959	0.094
Trypanosoma brucei	ABC transporter, putative	0.0411	0.4582	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Plasmodium falciparum	multidrug resistance-associated protein 1	0.021	0.1957	0.1452
Plasmodium vivax	ABC transporter G family member 2, putative	0.0411	0.4582	0.527
Plasmodium falciparum	multidrug resistance protein 2	0.021	0.1957	0.1452
Brugia malayi	hypothetical protein	0.0133	0.0959	0.094
Giardia lamblia	ABC transporter	0.0399	0.4427	1
Loa Loa (eye worm)	hypothetical protein	0.0661	0.7833	0.7829
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.021	0.1957	0.2326
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.077	0.077
Echinococcus granulosus	multidrug resistance protein 1	0.0661	0.7833	0.7833
Echinococcus multilocularis	multidrug resistance protein 1	0.0661	0.7833	0.7833
Echinococcus multilocularis	multidrug resistance associated protein 1	0.021	0.1957	0.1957
Schistosoma mansoni	multidrug resistance protein	0.021	0.1957	0.1957
Schistosoma mansoni	tar DNA-binding protein	0.0827	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.021	0.1957	0.4246
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0661	0.7833	1
Schistosoma mansoni	multidrug resistance protein	0.0661	0.7833	0.7833
Plasmodium falciparum	ABC transporter B family member 7, putative	0.021	0.1957	0.1452
Brugia malayi	Latrophilin receptor protein 2	0.0104	0.0573	0.0554
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0411	0.4582	1
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.021	0.1957	0.4246
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0661	0.7833	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.021	0.1957	0.2478
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0661	0.7833	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0573	0.0554
Brugia malayi	hypothetical protein	0.021	0.1957	0.194
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.021	0.1957	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0661	0.7833	0.7833
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.021	0.1957	0.4043
Schistosoma mansoni	hypothetical protein	0.0104	0.0573	0.0573
Brugia malayi	ABC transporter	0.0198	0.1802	0.1785
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0104	0.0573	0.0573
Loa Loa (eye worm)	ABC transporter	0.021	0.1957	0.194
Brugia malayi	ABC transporter family protein	0.0661	0.7833	0.7829
Schistosoma mansoni	multidrug resistance protein	0.0661	0.7833	0.7833
Entamoeba histolytica	P-glycoprotein-2, putative	0.0661	0.7833	1
Schistosoma mansoni	multidrug resistance protein	0.021	0.1957	0.1957
Plasmodium vivax	multidrug resistance protein 1, putative	0.0661	0.7833	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.021	0.1957	0.4246
Loa Loa (eye worm)	TAR-binding protein	0.0827	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0463	0.5251	0.5251
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0661	0.7833	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0411	0.4582	0.4582
Schistosoma mansoni	tar DNA-binding protein	0.0827	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.1435	0.1435
Brugia malayi	ABC transporter family protein	0.021	0.1957	0.194
Leishmania major	ABC-thiol transporter	0.021	0.1957	0.2326
Leishmania major	hypothetical protein, conserved	0.0133	0.0959	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0198	0.1802	0.1785
Schistosoma mansoni	multidrug resistance protein	0.0198	0.1802	0.1802
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.077	0.0959
Brugia malayi	hypothetical protein	0.0086	0.0343	0.0323
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.021	0.1957	0.2326
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0661	0.7833	1
Trypanosoma cruzi	ATP-binding cassette protein subfamily G	0.0073	0.0176	0.0339
Echinococcus multilocularis	multidrug resistance associated protein 7	0.021	0.1957	0.1957
Echinococcus multilocularis	multidrug resistance protein 1	0.0463	0.5251	0.5251
Echinococcus granulosus	multidrug resistance protein 1	0.0661	0.7833	0.7833
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0328	0.3498	0.3484
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.021	0.1957	0.1957

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.122 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.6964 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	5.8584 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.3225 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1572373

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1421109