TDR Targets

Basic information

Technical information

TDR Targets ID: 1420173
Name: dimethyl 1-(4-methoxyphenyl)-4-(4-methyl-3-ni trophenyl)-4H-pyridine-3,5-dicarboxylate
MW: 438.43 | Formula: C23H22N2O7
H donors: 0 H acceptors: 4 LogP: 3.67 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=CN(C=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)OC)c1ccc(cc1)OC
InChi: 1S/C23H22N2O7/c1-14-5-6-15(11-20(14)25(28)29)21-18(22(26)31-3)12-24(13-19(21)23(27)32-4)16-7-9-17(30-2)10-8-16/h5-13,21H,1-4H3
InChiKey: CQWFJACPUQVVQZ-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

dimethyl 1-(4-methoxyphenyl)-4-(4-methyl-3-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate
1-(4-methoxyphenyl)-4-(4-methyl-3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
1-(4-methoxyphenyl)-4-(4-methyl-3-nitro-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
MLS000680627
SMR000272585
dimethyl 1-(4-methoxyphenyl)-4-(4-methyl-3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
IVK/2007104

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
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	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
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
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0372	0.579	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0118	0.0961	0.0961
Schistosoma mansoni	hypothetical protein	0.0146	0.1494	0.1494
Leishmania major	pentamidine resistance protein 1	0.0118	0.0961	0.1375
Echinococcus multilocularis	multidrug resistance protein 1	0.0372	0.579	0.579
Echinococcus granulosus	ATP binding cassette sub family B	0.0112	0.0835	0.0835
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0228	0.3055	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0118	0.0961	0.0255
Plasmodium vivax	ABC transporter G family member 2, putative	0.0228	0.3055	0.5116
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0372	0.579	0.579
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0593	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0118	0.0961	0.5
Brugia malayi	ABC transporter family protein	0.0118	0.0961	0.0961
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0118	0.0961	0.1375
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0118	0.0961	0.1375
Schistosoma mansoni	multidrug resistance protein	0.0372	0.579	0.579
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0118	0.0961	0.1375
Entamoeba histolytica	P-glycoprotein-2	0.0372	0.579	1
Echinococcus granulosus	multidrug resistance protein 1	0.0372	0.579	0.579
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0372	0.579	1
Entamoeba histolytica	ABC transporter, putative	0.0118	0.0961	0.0255
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.0228	0.3055	0.5116
Schistosoma mansoni	multidrug resistance protein	0.0118	0.0961	0.0961
Brugia malayi	ABC transporter family protein	0.0372	0.579	0.579
Echinococcus granulosus	ATP binding cassette sub family B	0.0118	0.0961	0.0961
Loa Loa (eye worm)	ABC transporter	0.0118	0.0961	0.0961
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0118	0.0961	0.2688
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0118	0.0961	0.0255
Echinococcus granulosus	tar DNA binding protein	0.0593	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0372	0.579	0.579
Plasmodium vivax	multidrug resistance protein 1, putative	0.0372	0.579	1
Toxoplasma gondii	ABC transporter family protein	0.0118	0.0961	0.1375
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0961	0.0961
Echinococcus multilocularis	ATP binding cassette sub family B	0.0118	0.0961	0.0961
Giardia lamblia	MRP-like ABC transporter	0.0118	0.0961	0.0604
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0118	0.0961	0.2688
Giardia lamblia	ABC transporter, putative	0.0118	0.0961	0.0604
Entamoeba histolytica	P-glycoprotein-1	0.0372	0.579	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1414	0.1414
Echinococcus granulosus	ATP binding cassette sub family B	0.0118	0.0961	0.0961
Echinococcus multilocularis	multidrug resistance protein 1	0.0261	0.3668	0.3668
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0214	0.2781	0.2781
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0372	0.579	1
Plasmodium falciparum	multidrug resistance protein 2	0.0118	0.0961	0.1375
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0228	0.3055	1
Brugia malayi	ABC transporter family protein	0.0118	0.0961	0.0961
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Trichomonas vaginalis	ABC transporter, putative	0.0372	0.579	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0372	0.579	1
Echinococcus multilocularis	tar DNA binding protein	0.0593	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0372	0.579	0.579
Trichomonas vaginalis	abcb9, putative	0.0372	0.579	1
Trypanosoma brucei	multidrug resistance protein E	0.0118	0.0961	0.2688
Plasmodium vivax	ABC transporter B family member 4, putative	0.0118	0.0961	0.1375
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0118	0.0961	0.5
Entamoeba histolytica	P-glycoprotein-5	0.0372	0.579	1
Plasmodium vivax	ABC transporter B family member 7, putative	0.0118	0.0961	0.1375
Loa Loa (eye worm)	multidrug resistance protein 3	0.0372	0.579	0.579
Echinococcus multilocularis	ATP binding cassette sub family B	0.0118	0.0961	0.0961
Trypanosoma brucei	p-glycoprotein	0.0118	0.0961	0.2688
Schistosoma mansoni	ABC transporter	0.0194	0.2407	0.2407
Entamoeba histolytica	hypothetical protein	0.0118	0.0961	0.0255
Brugia malayi	TAR-binding protein	0.0593	1	1
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0118	0.0961	0.1375
Schistosoma mansoni	tar DNA-binding protein	0.0593	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0372	0.579	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0228	0.3055	0.3055
Brugia malayi	multidrug resistance protein 3	0.0372	0.579	0.579
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0372	0.579	0.579
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0118	0.0961	0.2688
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1414	0.1414
Trichomonas vaginalis	abcb9, putative	0.0372	0.579	1
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0118	0.0961	0.1375
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0118	0.0961	0.0961
Giardia lamblia	Multidrug resistance-associated protein 1	0.0118	0.0961	0.0604
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0118	0.0961	0.1375
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0372	0.579	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0118	0.0961	0.2688
Echinococcus multilocularis	ATP binding cassette sub family G	0.0228	0.3055	0.3055
Schistosoma mansoni	multidrug resistance protein	0.0372	0.579	0.579
Brugia malayi	hypothetical protein	0.0118	0.0961	0.0961
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0118	0.0961	0.0255
Plasmodium vivax	ABC transporter B family member 3, putative	0.0118	0.0961	0.1375
Echinococcus multilocularis		0.0118	0.0961	0.0961
Entamoeba histolytica	P-glyco protein 6, putative	0.0372	0.579	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0191	0.0191
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0228	0.3055	1
Schistosoma mansoni	multidrug resistance protein	0.0372	0.579	0.579
Schistosoma mansoni	multidrug resistance protein	0.0112	0.0835	0.0835
Entamoeba histolytica	P-glycoprotein-2, putative	0.0372	0.579	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.1414	0.1414
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0372	0.579	0.579
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1494	0.1494
Schistosoma mansoni	multidrug resistance protein	0.0118	0.0961	0.0961
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0372	0.579	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0118	0.0961	0.0961
Schistosoma mansoni	tar DNA-binding protein	0.0593	1	1
Brugia malayi	ABC transporter	0.0118	0.0961	0.0961
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0372	0.579	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Loa Loa (eye worm)	TAR-binding protein	0.0593	1	1
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0188	0.2281	0.2732
Echinococcus multilocularis	ATP binding cassette sub family G	0.0228	0.3055	0.3055
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0214	0.2781	0.2781
Brugia malayi	ABC transporter family protein	0.0194	0.2407	0.2407
Brugia malayi	multidrug resistance related protein 1	0.0118	0.0961	0.0961
Trichomonas vaginalis	abcb9, putative	0.0372	0.579	1
Trichomonas vaginalis	ABC transporter, putative	0.0372	0.579	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0372	0.579	0.579
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0251	0.3488	0.3488
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0118	0.0961	0.1375
Trypanosoma cruzi	ABC transporter, putative	0.0228	0.3055	1
Loa Loa (eye worm)	hypothetical protein	0.0372	0.579	0.579
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0365	0.5664	0.5664
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0372	0.579	1
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0228	0.3055	0.3055
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0961	0.0961
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1414	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0365	0.5664	0.5664
Schistosoma mansoni	smdr2	0.0372	0.579	0.579
Entamoeba histolytica	P-glycoprotein 6, putative	0.0118	0.0961	0.0255
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0118	0.0961	0.2688
Plasmodium vivax	ABC transporter B family member 6, putative	0.0118	0.0961	0.1375
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Schistosoma mansoni	smdr1	0.0118	0.0961	0.0961
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0118	0.0961	0.2688
Brugia malayi	ABC transporter transmembrane region family protein	0.0112	0.0835	0.0835
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0118	0.0961	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0593	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0372	0.579	0.579
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0372	0.579	0.579
Leishmania major	p-glycoprotein e	0.0118	0.0961	0.1375
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0118	0.0961	0.1375
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0118	0.0961	0.1375
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0118	0.0961	0.0961
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0118	0.0961	0.2688
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0118	0.0961	0.1375
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0118	0.0961	0.1375
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0118	0.0961	0.1375
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0261	0.3668	0.5718
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0118	0.0961	0.0961
Brugia malayi	latrophilin 2 splice variant baaae	0.0146	0.1494	0.1494
Trichomonas vaginalis	ABC transporter, putative	0.0372	0.579	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0118	0.0961	0.0255
Brugia malayi	RNA recognition motif domain containing protein	0.0593	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0372	0.579	1
Brugia malayi	MH2 domain containing protein	0.0251	0.3488	0.3488
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0118	0.0961	0.1375
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0372	0.579	1
Leishmania major	ABC-thiol transporter	0.0118	0.0961	0.1375
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0118	0.0961	0.1375
Brugia malayi	hypothetical protein	0.0078	0.0191	0.0191
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0118	0.0961	0.0255
Schistosoma mansoni	multidrug resistance protein	0.0118	0.0961	0.0961
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0372	0.579	0.579
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Schistosoma mansoni	tar DNA-binding protein	0.0593	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0593	1	1
Plasmodium falciparum	ABC transporter G family member 2	0.0228	0.3055	0.5116
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0228	0.3055	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0835	0.0835
Entamoeba histolytica	ABC transporter, putative	0.0228	0.3055	0.4482
Giardia lamblia	Multidrug resistance-associated protein 1	0.0118	0.0961	0.0604
Echinococcus granulosus	multidrug resistance protein 1	0.0261	0.3668	0.3668
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0214	0.2781	0.2781
Loa Loa (eye worm)	ABC transporter	0.0118	0.0961	0.0961
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Plasmodium vivax	multidrug resistance protein 2, putative	0.0118	0.0961	0.1375
Echinococcus granulosus	multidrug resistance protein 1	0.0261	0.3668	0.3668
Trichomonas vaginalis	taga, putative	0.0372	0.579	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0835	0.0835
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0118	0.0961	0.1375
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0118	0.0961	0.1375
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1414	0.1414
Echinococcus multilocularis	ATP binding cassette sub family G	0.0228	0.3055	0.3055
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0112	0.0835	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2781	0.2781
Plasmodium vivax	ABC transporter B family member 5, putative	0.0118	0.0961	0.1375
Brugia malayi	ABC transporter family protein	0.0118	0.0961	0.0961
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0118	0.0961	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0365	0.5664	0.5664
Loa Loa (eye worm)	hypothetical protein	0.0372	0.579	0.579
Echinococcus granulosus	ATP binding cassette sub family G	0.0228	0.3055	0.3055
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0118	0.0961	0.1375
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.1414	0.1414
Loa Loa (eye worm)	ABC transporter	0.0194	0.2407	0.2407
Echinococcus granulosus	multidrug resistance protein 1	0.0372	0.579	0.579
Leishmania major	p-glycoprotein	0.0372	0.579	1
Brugia malayi	ABC transporter	0.0112	0.0835	0.0835
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0372	0.579	0.579
Trypanosoma brucei	ABC transporter, putative	0.0228	0.3055	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0228	0.3055	0.3055
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0372	0.579	1
Schistosoma mansoni	multidrug resistance protein	0.0118	0.0961	0.0961
Echinococcus granulosus	multidrug resistance associated protein 7	0.0118	0.0961	0.0961
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0372	0.579	0.579
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0372	0.579	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0372	0.579	0.579
Entamoeba histolytica	P-glycoprotein 6, putative	0.0118	0.0961	0.0255
Brugia malayi	P-glycoprotein-like protein	0.0118	0.0961	0.0961
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1414	0.1414
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0372	0.579	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0118	0.0961	0.0961
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0118	0.0961	0.1375
Giardia lamblia	ABC transporter	0.0222	0.2929	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Toxoplasma gondii	ABC transporter, putative	0.0118	0.0961	0.1375
Echinococcus multilocularis	ATP binding cassette sub family B	0.0118	0.0961	0.0961
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1414	0.1414
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0961	0.0961
Plasmodium falciparum	multidrug resistance protein 1	0.0372	0.579	1
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0118	0.0961	0.1375
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0118	0.0961	0.1375
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1414	0.1414
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0118	0.0961	0.1375
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0118	0.0961	0.1375
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0118	0.0961	0.0961
Loa Loa (eye worm)	RNA binding protein	0.0593	1	1
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0118	0.0961	0.1375
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0118	0.0961	0.2688
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.0228	0.3055	0.5116
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Onchocerca volvulus		0.0372	0.579	0.5
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.0228	0.3055	0.5116
Echinococcus multilocularis	ATP binding cassette sub family B	0.0118	0.0961	0.0961
Loa Loa (eye worm)	ABC transporter	0.0118	0.0961	0.0961
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0372	0.579	1
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0118	0.0961	0.2688
Schistosoma mansoni	multidrug resistance protein	0.0118	0.0961	0.0961
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0228	0.3055	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0118	0.0961	0.0961
Schistosoma mansoni	hypothetical protein	0.0188	0.2281	0.2281
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0372	0.579	1
Entamoeba histolytica	P-glycoprotein-2	0.0372	0.579	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0251	0.3488	0.3488
Entamoeba histolytica	multidrug resistance protein, putative	0.0118	0.0961	0.0255

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5012 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.631 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	1.5849 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)	7.9433 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 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
Saccharomyces cerevisiae	ChEMBL23
Homo sapiens	ChEMBL23
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: CHEMBL1570701

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1420173