TDR Targets

Basic information

Technical information

TDR Targets ID: 1421850
Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-5 -oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)aceta mide
MW: 475.536 | Formula: C27H29N3O5
H donors: 1 H acceptors: 3 LogP: 4.15 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(CCNC(=O)CN2c3cc(C)ccc3Oc3c(C2=O)cccn3)ccc1OCC
InChi: 1S/C27H29N3O5/c1-4-33-23-11-9-19(16-24(23)34-5-2)12-14-28-25(31)17-30-21-15-18(3)8-10-22(21)35-26-20(27(30)32)7-6-13-29-26/h6-11,13,15-16H,4-5,12,14,17H2,1-3H3,(H,28,31)
InChiKey: INFVULGQYLHMBR-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-5-oxo-6-pyrido[2,3-b][1,5]benzoxazepinyl)acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-keto-8-methyl-pyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepin-6-yl)ethanamide
E645-0482
NCGC00124165-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	ABL proto-oncogene 1, non-receptor tyrosine kinase		No references
Homo sapiens	Ras and Rab interactor 1		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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 granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Tyrosine-protein kinase abl-1	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
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	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
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	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase Abl	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase ABL1, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	TK/ABL protein kinase	Get druggable targets OG5_131234	All targets in OG5_131234

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0026	0.0034	0.0388
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0119	0.0535	0.173
Schistosoma mansoni	hypothetical protein	0.1283	0.6802	1
Brugia malayi	RNA binding protein	0.0594	0.309	0.309
Brugia malayi	hypothetical protein	0.0182	0.0871	0.0871
Echinococcus granulosus	smad	0.0119	0.0535	0.173
Entamoeba histolytica	hypothetical protein	0.0026	0.0034	0.029
Loa Loa (eye worm)	TAR-binding protein	0.0594	0.309	0.309
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Loa Loa (eye worm)	MH2 domain-containing protein	0.0053	0.0179	0.0179
Onchocerca volvulus		0.0037	0.0091	0.0231
Schistosoma mansoni	hypothetical protein	0.0594	0.3091	0.4544
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.0398	0.1288
Schistosoma mansoni	Smad4	0.0119	0.0535	0.0786
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0101	0.0436	0.5001
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Schistosoma mansoni	tyrosine kinase	0.025	0.1239	0.1821
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0398	0.0585
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Brugia malayi	hypothetical protein	0.0037	0.0091	0.0091
Brugia malayi	hypothetical protein	0.0237	0.1166	0.1166
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Schistosoma mansoni	hypothetical protein	0.0594	0.3091	0.4544
Echinococcus granulosus	tar DNA binding protein	0.0594	0.309	0.9999
Echinococcus granulosus	segment polarity protein dishevelled	0.0037	0.0091	0.0293
Brugia malayi	Tyrosine-protein kinase abl-1	0.0103	0.0449	0.0449
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0119	0.0535	0.0786
Schistosoma mansoni	tar DNA-binding protein	0.0594	0.309	0.4543
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0037	0.0091	0.0091
Echinococcus multilocularis	ras GTP exchange factor	0.0026	0.0034	0.0109
Brugia malayi	Isocitrate dehydrogenase	0.0101	0.0436	0.0436
Brugia malayi	RNA recognition motif domain containing protein	0.0594	0.309	0.309
Echinococcus granulosus	ras GTP exchange factor	0.0026	0.0034	0.0109
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0053	0.0179	0.0581
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0237	0.1166	0.3772
Brugia malayi	Tyrosine-protein kinase abl-1	0.0154	0.0721	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0091	0.0091
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0026	0.0034	0.005
Brugia malayi	RasGEF domain containing protein	0.0026	0.0034	0.0034
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0037	0.0091	0.0091
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0103	0.0449	0.1454
Schistosoma mansoni	hypothetical protein	0.0237	0.1166	0.1714
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0026	0.0034	1
Brugia malayi	DIX domain containing protein	0.0037	0.0091	0.0091
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0037	0.0091	0.0133
Plasmodium falciparum	ataxin-2 like protein, putative	0.0182	0.0871	1
Loa Loa (eye worm)	hypothetical protein	0.1878	1	1
Treponema pallidum	DNA ligase (lig)	0.002	0	0.5
Brugia malayi	RasGEF domain containing protein	0.0026	0.0034	0.0034
Schistosoma mansoni	tar DNA-binding protein	0.0594	0.309	0.4543
Brugia malayi	latrophilin 2 splice variant baaae	0.1283	0.6802	0.6802
Entamoeba histolytica	hypothetical protein	0.0237	0.1166	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Entamoeba histolytica	hypothetical protein	0.0237	0.1166	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0871	0.0871
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0049	0.0049
Brugia malayi	hypothetical protein	0.0037	0.0091	0.0091
Echinococcus multilocularis	isocitrate dehydrogenase	0.0101	0.0436	0.1409
Brugia malayi	MH1 domain containing protein	0.0119	0.0535	0.0535
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0101	0.0436	0.1409
Loa Loa (eye worm)	hypothetical protein	0.0594	0.3091	0.3091
Giardia lamblia	Replication factor C, subunit 1	0.002	0	0.5
Brugia malayi	MH1 domain containing protein	0.0066	0.0248	0.0248
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0037	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1534	0.1534
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0119	0.0535	0.173
Trypanosoma cruzi	PAB1-binding protein , putative	0.0182	0.0871	1
Brugia malayi	MH1 domain containing protein	0.0119	0.0535	0.0535
Brugia malayi	RasGEF domain containing protein	0.0029	0.0049	0.0049
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.0398	0.1288
Schistosoma mansoni	dishevelled	0.0037	0.0091	0.0133
Echinococcus multilocularis	segment polarity protein dishevelled	0.0037	0.0091	0.0293
Brugia malayi	MH2 domain containing protein	0.0053	0.0179	0.0179
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0119	0.0535	0.173
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Toxoplasma gondii	isocitrate dehydrogenase	0.0101	0.0436	0.5001
Trypanosoma cruzi	hypothetical protein	0.0026	0.0034	0.0388
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0082	0.0331	0.1072
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0026	0.0034	0.0034
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0101	0.0436	0.5
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0037	0.0091	0.0231
Schistosoma mansoni	ras GTP exchange factor	0.0026	0.0034	0.005
Echinococcus granulosus	son of sevenless 1	0.0026	0.0034	0.0109
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0026	0.0034	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0237	0.1166	0.3772
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0101	0.0436	0.1409
Loa Loa (eye worm)	hypothetical protein	0.1283	0.6802	0.6802
Echinococcus multilocularis	regulator of G protein signaling 7	0.0037	0.0091	0.0293
Echinococcus multilocularis	segment polarity protein dishevelled	0.0037	0.0091	0.0293
Loa Loa (eye worm)	nuclear factor I	0.0066	0.0248	0.0248
Echinococcus granulosus	GPCR family 2	0.0594	0.3091	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0748	0.3919	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0034	0.0034
Loa Loa (eye worm)	transcription factor SMAD2	0.1751	0.9317	0.9317
Loa Loa (eye worm)	TK/ABL protein kinase	0.0254	0.1258	0.1258
Brugia malayi	hypothetical protein	0.0117	0.0524	0.0524
Toxoplasma gondii	isocitrate dehydrogenase	0.0101	0.0436	0.5001
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0254	0.1258	0.4072
Plasmodium vivax	ataxin-2 like protein, putative	0.0182	0.0871	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0101	0.0436	0.5001
Loa Loa (eye worm)	MH1 domain-containing protein	0.0119	0.0535	0.0535
Schistosoma mansoni	smad1 5 8 and	0.0119	0.0535	0.0786
Chlamydia trachomatis	DNA ligase	0.002	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.0535	0.0535
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0254	0.1258	0.4072
Onchocerca volvulus		0.0026	0.0034	0.0086
Loa Loa (eye worm)	Smad1	0.0119	0.0535	0.0535
Loa Loa (eye worm)	DIX domain-containing protein	0.0037	0.0091	0.0091
Toxoplasma gondii	hypothetical protein	0.0037	0.0091	0.1041
Echinococcus multilocularis	smad	0.0119	0.0535	0.173
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0053	0.0179	0.0458
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1878	1	1
Brugia malayi	N-terminal motif family protein	0.0029	0.0049	0.0049
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0101	0.0436	0.064
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0101	0.0436	0.1409
Trypanosoma brucei	PAB1-binding protein , putative	0.0182	0.0871	1
Echinococcus multilocularis	son of sevenless 1	0.0026	0.0034	0.0109
Echinococcus granulosus	segment polarity protein dishevelled	0.0037	0.0091	0.0293
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0594	0.309	0.309
Echinococcus granulosus	regulator of G protein signaling 7	0.0037	0.0091	0.0293
Echinococcus multilocularis	Protein son of sevenless	0.0026	0.0034	0.0109
Echinococcus granulosus	rap guanine nucleotide exchange factor 1	0.0026	0.0034	0.0109
Onchocerca volvulus		0.0305	0.1534	0.3914
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0594	0.3091	1
Schistosoma mansoni	Smad4	0.0053	0.0179	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0091	0.0091
Schistosoma mansoni	hypothetical protein	0.0082	0.0331	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0179	0.0179
Brugia malayi	MH1 domain containing protein	0.0066	0.0248	0.0248
Leishmania major	hypothetical protein, conserved	0.0182	0.0871	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0182	0.0871	1
Brugia malayi	Smad1	0.0119	0.0535	0.0535
Brugia malayi	MH2 domain containing protein	0.0119	0.0535	0.0535
Schistosoma mansoni	smad1 5 8 and	0.0119	0.0535	0.0786
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0026	0.0034	0.0034
Brugia malayi	MH2 domain containing protein	0.1751	0.9317	0.9317
Brugia malayi	TAR-binding protein	0.0594	0.309	0.309
Brugia malayi	Latrophilin receptor protein 2	0.0594	0.3091	0.3091
Brugia malayi	N-terminal motif family protein	0.0748	0.3919	0.3919
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Brugia malayi	hypothetical protein	0.0305	0.1534	0.1534
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0248	0.0248
Schistosoma mansoni	regulator of G protein signaling	0.0037	0.0091	0.0133
Echinococcus multilocularis	GPCR, family 2	0.0594	0.3091	1
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0025	0.0027	0.0039
Brugia malayi	isocitrate dehydrogenase	0.0101	0.0436	0.0436
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0026	0.0034	1
Loa Loa (eye worm)	RNA binding protein	0.0594	0.309	0.309
Echinococcus multilocularis	regulator of G protein signaling 7	0.0037	0.0091	0.0293
Schistosoma mansoni	z-protein (S1r protein)	0.0037	0.0091	0.0133
Echinococcus multilocularis	rap guanine nucleotide exchange factor 1	0.0026	0.0034	0.0109
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0026	0.0034	0.005
Brugia malayi	regulator of G-protein signaling egl-10	0.0037	0.0091	0.0091
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0101	0.0436	0.5001
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0411	0.0411
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0101	0.0436	0.1409
Loa Loa (eye worm)	MH2 domain-containing protein	0.1751	0.9317	0.9317
Echinococcus granulosus	Smad4	0.0119	0.0535	0.173
Echinococcus multilocularis	Smad4	0.0119	0.0535	0.173
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.002	0	0.5
Echinococcus granulosus	rap guanine nucleotide exchange factor 6	0.0026	0.0034	0.0109
Brugia malayi	mothers against decapentaplegic homolog 3	0.0053	0.0179	0.0179
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Entamoeba histolytica	hypothetical protein	0.0237	0.1166	1
Brugia malayi	N-terminal motif family protein	0.0026	0.0034	0.0034
Entamoeba histolytica	hypothetical protein	0.0237	0.1166	1
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0037	0.0091	0.0293
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0594	0.3091	0.3091
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0026	0.0034	0.0086
Echinococcus granulosus	regulator of G protein signaling 7	0.0037	0.0091	0.0293
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0101	0.0436	0.5001
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Schistosoma mansoni	smad	0.0119	0.0535	0.0786
Schistosoma mansoni	tar DNA-binding protein	0.0594	0.309	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0748	0.3919	0.3919
Schistosoma mansoni	dishevelled	0.0037	0.0091	0.0133
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.002	0	0.5
Schistosoma mansoni	hypothetical protein	0.0594	0.3091	0.4544
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Schistosoma mansoni	tar DNA-binding protein	0.0594	0.309	0.4543
Schistosoma mansoni	hypothetical protein	0.0594	0.3091	0.4544
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0594	0.3091	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0398	0.0585
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0082	0.0331	0.1072
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0026	0.0034	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1878	1	1
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0053	0.0179	0.0581
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.0398	0.0398
Schistosoma mansoni	transcription factor LCR-F1	0.0237	0.1166	0.1714
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0101	0.0436	0.0436
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0026	0.0034	0.005
Schistosoma mansoni	Smad4	0.0053	0.0179	0.0264
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0398	0.0585
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Schistosoma mansoni	tar DNA-binding protein	0.0594	0.309	0.4543
Echinococcus multilocularis	rap guanine nucleotide exchange factor 6	0.0026	0.0034	0.0109
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.0398	0.1288
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0101	0.0436	0.5001
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0594	0.3091	0.3091
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0091	0.0091
Schistosoma mansoni	smad	0.0053	0.0179	0.0264
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0594	0.3091	1
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0026	0.0034	0.005
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Trypanosoma cruzi	PAB1-binding protein , putative	0.0182	0.0871	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0182	0.0871	1
Schistosoma mansoni	smad1 5 8 and	0.0119	0.0535	0.0786
Echinococcus granulosus	mothers against decapentaplegic 6	0.0053	0.0179	0.0581
Loa Loa (eye worm)	MH1 domain-containing protein	0.0053	0.0179	0.0179
Echinococcus granulosus	mothers against decapentaplegic 2	0.0053	0.0179	0.0581
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0034	0.029
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0037	0.0091	0.0293
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.0398	0.1288
Schistosoma mansoni	dep domain containing protein	0.0037	0.0091	0.0133
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0101	0.0436	0.1409
Echinococcus multilocularis	tar DNA binding protein	0.0594	0.309	0.9999
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0029	0.0049	0.0049
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.0398	0.0398
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0101	0.0436	0.5001
Echinococcus granulosus	Protein son of sevenless	0.0026	0.0034	0.0109
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0594	0.3091	1
Trypanosoma cruzi	hypothetical protein	0.0026	0.0034	0.0388
Echinococcus granulosus	mothers against decapentaplegic 5	0.0119	0.0535	0.173
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.002	0	0.5
Brugia malayi	MH2 domain containing protein	0.0119	0.0535	0.0535

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 9.817 uM	PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 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)	13.1154 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)	14.7157 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)	29.081 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)	79.4328 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1569081

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1421850