TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.951 | Formula: C27H24ClN3O3
H donors: 3 H acceptors: 2 LogP: 4.75 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: ClCCCNC(=O)O[C@H]([C@H]1c2ccccc2c2c1c1[nH]c3c(c1c1c2C(=O)NC1)cccc3)C
InChi: 1S/C27H24ClN3O3/c1-14(34-27(33)29-12-6-11-28)20-15-7-2-3-8-16(15)22-23-18(13-30-26(23)32)21-17-9-4-5-10-19(17)31-25(21)24(20)22/h2-5,7-10,14,20,31H,6,11-13H2,1H3,(H,29,33)(H,30,32)/t14-,20-/m0/s1
InChiKey: FNCGOKWVESVXSF-XOBRGWDASA-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	neurotrophic tyrosine kinase, receptor, type 1	Starlite/ChEMBL	References

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
Schistosoma mansoni	multidrug resistance protein	0.0073	0.1562	0.1562
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Plasmodium vivax	ABC transporter B family member 5, putative	0.0017	0.0294	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0017	0.0294	0.0294
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0073	0.1562	1
Onchocerca volvulus		0.0031	0.0619	0.5474
Brugia malayi	multidrug resistance related protein 1	0.0073	0.1562	0.5469
Echinococcus granulosus	smad	0.0009	0.0111	0.0111
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.2855	0.7469
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0016	0.028	0.028
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0086	0.0086
Schistosoma mansoni	multidrug resistance protein	0.0073	0.1562	0.1562
Schistosoma mansoni	smdr2	0.0017	0.0294	0.0294
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0017	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1562	0.4085
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0017	0.0294	0.5
Brugia malayi	ABC transporter	0.0017	0.0294	0.1029
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0073	0.1562	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0111	0.029
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0111	0.029
Brugia malayi	ABC transporter transmembrane region family protein	0.0016	0.028	0.0982
Echinococcus granulosus	multidrug resistance protein 1	0.0017	0.0294	0.0294
Echinococcus multilocularis	ATP binding cassette sub family B	0.0017	0.0294	0.0294
Brugia malayi	MH1 domain containing protein	0.0005	0.0021	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0016	0.028	0.0733
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0127	0.0444
Entamoeba histolytica	P-glyco protein 6, putative	0.0017	0.0294	0.0104
Echinococcus multilocularis	smad	0.0009	0.0111	0.0111
Echinococcus multilocularis	ATP binding cassette sub family B	0.0017	0.0294	0.0294
Loa Loa (eye worm)	ABC transporter	0.0017	0.0294	0.0768
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0017	0.0294	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.113	0.2957
Echinococcus multilocularis	ATP binding cassette sub family B	0.0016	0.028	0.028
Echinococcus multilocularis	tumor protein p63	0.037	0.8245	0.8245
Brugia malayi	hypothetical protein	0.0017	0.0294	0.1029
Echinococcus multilocularis	dnaJ subfamily B	0.0447	1	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.3823	1
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0017	0.0294	0.5
Loa Loa (eye worm)	multidrug resistance protein 3	0.0017	0.0294	0.0768
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0016	0.028	0.94
Loa Loa (eye worm)	hypothetical protein	0.0173	0.3823	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0021	0.0056
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0017	0.0294	0.0768
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0111	0.0111
Echinococcus granulosus	multidrug resistance associated protein 7	0.0073	0.1562	0.1562
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0017	0.0294	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0017	0.0294	0.0294
Leishmania major	ABC-thiol transporter	0.0073	0.1562	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0073	0.1562	1
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0173	0.3823	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.1039	0.2717
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0111	0.0111
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0017	0.0294	0.0294
Echinococcus multilocularis	multidrug resistance protein 1	0.0017	0.0294	0.0294
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0017	0.0294	0.5
Trypanosoma brucei	p-glycoprotein	0.0073	0.1562	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0056	0.1178	0.1178
Plasmodium vivax	ABC transporter B family member 3, putative	0.0017	0.0294	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0073	0.1562	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0073	0.1562	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0073	0.1562	0.4085
Trichomonas vaginalis	abcb9, putative	0.0017	0.0294	1
Echinococcus granulosus	tumor protein p63	0.037	0.8245	0.8245
Brugia malayi	MH2 domain containing protein	0.0009	0.0111	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0294	0.0768
Echinococcus granulosus	Smad4	0.0009	0.0111	0.0111
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0017	0.0294	0.0104
Brugia malayi	ABC transporter transmembrane region family protein	0.0073	0.1562	0.5469
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0017	0.0294	0.5
Entamoeba histolytica	ABC transporter, putative	0.0073	0.1562	1
Brugia malayi	ABC transporter family protein	0.0017	0.0294	0.1029
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0017	0.0294	0.5
Echinococcus multilocularis	cpg binding protein	0.0033	0.0659	0.0659
Echinococcus multilocularis	ATP binding cassette sub family B	0.0017	0.0294	0.0294
Plasmodium vivax	multidrug resistance protein 1, putative	0.0017	0.0294	0.5
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0017	0.0294	0.5
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0086	0.0086
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1039	0.1039
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0111	0.0111
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0619	0.1619
Loa Loa (eye worm)	Smad1	0.0009	0.0111	0.029
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.028	0.0733
Echinococcus multilocularis	Smad4	0.0009	0.0111	0.0111
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0017	0.0294	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0073	0.1562	0.1562
Toxoplasma gondii	hypothetical protein	0.0173	0.3823	1
Brugia malayi	Smad1	0.0009	0.0111	0.0389
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0017	0.0294	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0294	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0017	0.0294	0.0104
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0017	0.0294	0.5
Loa Loa (eye worm)	nuclear factor I	0.0005	0.0021	0.0056
Plasmodium vivax	multidrug resistance protein 2, putative	0.0017	0.0294	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1039	0.1039
Echinococcus multilocularis	ATP binding cassette sub family B	0.0017	0.0294	0.0294
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0056	0.1178	0.1178
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0129	0.0129
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1039	0.1039
Onchocerca volvulus		0.0054	0.113	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1039	0.1039
Brugia malayi	MH1 domain containing protein	0.0009	0.0111	0.0389
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0294	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0111	0.0111
Schistosoma mansoni	multidrug resistance protein	0.0073	0.1562	0.1562
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0017	0.0294	0.5
Leishmania major	pentamidine resistance protein 1	0.0073	0.1562	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.1039	0.3638
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0073	0.1562	0.3593
Leishmania major	p-glycoprotein e	0.0073	0.1562	1
Schistosoma mansoni	hypothetical protein	0.0447	1	1
Plasmodium vivax	ABC transporter B family member 6, putative	0.0017	0.0294	0.5
Trypanosoma cruzi	hypothetical protein	0.0056	0.1178	0.6976
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0073	0.1562	1
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0017	0.0294	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0129	0.0129
Schistosoma mansoni	multidrug resistance protein	0.0073	0.1562	0.1562
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1562	0.4085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1039	0.1039
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0111	0.0111
Entamoeba histolytica	multidrug resistance protein, putative	0.0073	0.1562	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0073	0.1548	0.9896
Brugia malayi	ABC transporter family protein	0.0017	0.0294	0.1029
Schistosoma mansoni	cpg binding protein	0.0033	0.0659	0.0659
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0294	0.0294
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0294	0.0294
Brugia malayi	P-glycoprotein-like protein	0.0017	0.0294	0.1029
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Trichomonas vaginalis	abcb9, putative	0.0017	0.0294	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.3823	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0016	0.028	0.94
Trichomonas vaginalis	taga, putative	0.0017	0.0294	1
Brugia malayi	ABC transporter	0.0016	0.028	0.0982
Brugia malayi	MH2 domain containing protein	0.0009	0.0111	0.0389
Plasmodium vivax	ABC transporter B family member 7, putative	0.0017	0.0294	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0073	0.1562	1
Schistosoma mansoni	smad	0.0009	0.0111	0.0111
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0017	0.0294	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0017	0.0294	0.0104
Giardia lamblia	Multidrug resistance-associated protein 1	0.0073	0.1562	1
Schistosoma mansoni	Smad4	0.0009	0.0111	0.0111
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0017	0.0294	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0017	0.0294	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0111	0.0111
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0111	0.0111
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0073	0.1562	1
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0294	0.0294
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0086	0.0086
Echinococcus granulosus	ATP binding cassette sub family B	0.0016	0.028	0.028
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0086	0.0086
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0073	0.1562	1
Echinococcus granulosus	multidrug resistance protein 1	0.0017	0.0294	0.0294
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1039	0.1039
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1413	0.1413
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1252	0.2717
Brugia malayi	ABC transporter family protein	0.0017	0.0294	0.1029
Schistosoma mansoni	cpg binding protein	0.0033	0.0659	0.0659
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0017	0.0294	0.0294
Echinococcus granulosus	multidrug resistance associated protein 1	0.0073	0.1562	0.1562
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0017	0.0294	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0073	0.1562	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0294	0.0768
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.028	0.94
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0073	0.1562	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0294	0.0294
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0017	0.0294	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0073	0.1562	1
Brugia malayi	ABC transporter family protein	0.0017	0.0294	0.1029
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0294	0.0104
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Loa Loa (eye worm)	ABC transporter	0.0017	0.0294	0.0768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1039	0.1039
Brugia malayi	multidrug resistance protein 3	0.0017	0.0294	0.1029
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0017	0.0294	1
Schistosoma mansoni	multidrug resistance protein	0.0017	0.0294	0.0294
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0619	0.2167
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0111	0.0111
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0016	0.028	0.028
Plasmodium falciparum	multidrug resistance protein 1	0.0017	0.0294	0.5
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0017	0.0294	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0294	0.5
Entamoeba histolytica	P-glycoprotein 6, putative	0.0017	0.0294	0.0104
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0086	0.0086
Echinococcus granulosus	cpg binding protein	0.0033	0.0659	0.0659
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0057	0.1192	0.3117
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0017	0.0294	0.5
Entamoeba histolytica	P-glycoprotein-5	0.0017	0.0294	0.0104
Entamoeba histolytica	P-glycoprotein-1	0.0017	0.0294	0.0104
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0016	0.028	0.94
Schistosoma mansoni	multidrug resistance protein	0.0016	0.028	0.028
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0017	0.0294	1
Trypanosoma brucei	multidrug resistance protein E	0.0073	0.1562	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0017	0.0294	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0017	0.0294	0.0294
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0073	0.1562	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0017	0.0294	1
Giardia lamblia	ABC transporter, putative	0.0073	0.1562	1
Echinococcus multilocularis		0.0017	0.0294	0.0294
Brugia malayi	MH2 domain containing protein	0.0131	0.2855	1
Brugia malayi	MH1 domain containing protein	0.0005	0.0021	0.0075
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0017	0.0294	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0017	0.0294	1
Plasmodium falciparum	multidrug resistance protein 2	0.0017	0.0294	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0017	0.0294	1
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.113	0.113
Trichomonas vaginalis	ABC transporter, putative	0.0017	0.0294	1
Trichomonas vaginalis	abcb9, putative	0.0017	0.0294	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0017	0.0294	0.0104
Trichomonas vaginalis	ABC transporter, putative	0.0017	0.0294	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0073	0.1562	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0017	0.0294	0.1029
Brugia malayi	MH1 domain containing protein	0.0009	0.0111	0.0389
Giardia lamblia	MRP-like ABC transporter	0.0073	0.1562	1
Onchocerca volvulus		0.0017	0.0294	0.2598
Echinococcus granulosus	ATP binding cassette sub family B	0.0017	0.0294	0.0294
Echinococcus granulosus	multidrug resistance protein 1	0.0017	0.0294	0.0294
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0017	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0294	0.0768
Loa Loa (eye worm)	ABC transporter	0.0017	0.0294	0.0768
Plasmodium vivax	ABC transporter B family member 4, putative	0.0017	0.0294	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0012	0.0012
Trichomonas vaginalis	ABC transporter, putative	0.0017	0.0294	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.2855	0.7469
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0017	0.0294	0.0294
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0073	0.1562	0.1562
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0017	0.0294	0.0294
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0017	0.0294	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0017	0.0294	0.0294
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0017	0.0294	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1548	0.405
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0017	0.0294	0.1029
Schistosoma mansoni	cpg binding protein	0.0031	0.0619	0.0619
Schistosoma mansoni	smdr1	0.0017	0.0294	0.0294
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0129	0.0339
Entamoeba histolytica	hypothetical protein	0.0073	0.1562	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0017	0.0294	0.0294

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 14 nM	Inhibition of human recombinant TrkA	ChEMBL.	18508265
IC50 (binding)	= 14 nM	Inhibition of human recombinant TrkA	ChEMBL.	18508265
Inhibition (binding)	= 4 %	Inhibition of NGF-stimulated TrkA phosphorylation in mouse NIH3T3 cells after 1 hr	ChEMBL.	18508265
Inhibition (binding)	= 4 %	Inhibition of NGF-stimulated TrkA phosphorylation in mouse NIH3T3 cells after 1 hr	ChEMBL.	18508265

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: CHEMBL404561

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 509056