TDR Targets

Basic information

Technical information

TDR Targets ID: 1376334
Name: T5592088
MW: 458.617 | Formula: C24H34N4O3S
H donors: 1 H acceptors: 3 LogP: 3.19 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)C)Cc1ccc(cc1)N(C)C
InChi: 1S/C24H34N4O3S/c1-5-27(18-20-8-12-22(13-9-20)26(3)4)19(2)24(29)25-21-10-14-23(15-11-21)32(30,31)28-16-6-7-17-28/h8-15,19H,5-7,16-18H2,1-4H3,(H,25,29)
InChiKey: HYXJASYNGSSQAC-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	peroxidasin	0.0077	0.2109	0.3337
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1046	0.1046
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0163	0.0258
Brugia malayi	steroid hormone receptor	0.0021	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0163	0.0163
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0163	0.0163
Entamoeba histolytica	hypothetical protein	0.0037	0.0705	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0034	0.061	0.0965
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0001	0.0001
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0034	0.061	0.0965
Loa Loa (eye worm)	hypothetical protein	0.02	0.6318	0.6318
Echinococcus multilocularis	geminin	0.0172	0.5365	0.8492
Loa Loa (eye worm)	carboxylesterase	0.0034	0.061	0.061
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0163	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0163	0.0258
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0163	0.0163
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0163	0.0163
Brugia malayi	Carboxylesterase family protein	0.0034	0.061	0.061
Onchocerca volvulus		0.0077	0.2109	0.1978
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Entamoeba histolytica	hypothetical protein	0.0037	0.0705	0.5
Brugia malayi	hypothetical protein	0.0017	0.0017	0.0017
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1046	0.1656
Onchocerca volvulus	Peroxidase homolog	0.0077	0.2109	0.1978
Brugia malayi	Blistered cuticle protein 3	0.0077	0.2109	0.2109
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.2109	0.2109
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0163	0.0258
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1046	0.1656
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0163	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.2109	0.2109
Echinococcus granulosus	carboxylesterase 5A	0.02	0.6318	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0329	1
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0163	0.0258
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0163	0.0258
Brugia malayi	hypothetical protein	0.0077	0.2109	0.2109
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.061	0.0965
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.061	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0329	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0329	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1046	0.1656
Brugia malayi	hypothetical protein	0.0037	0.0705	0.0705
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0163	0.0163
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0163	0.0163
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.061	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0163	0.0258
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0001	0.0001
Onchocerca volvulus		0.0034	0.061	0.0454
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0163	0.0163
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0163	0.0258
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1046	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0163	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0163	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0001	0.0001
Onchocerca volvulus		0.0077	0.2109	0.1978
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Onchocerca volvulus		0.0034	0.061	0.0454
Trichomonas vaginalis	spcc417.12 protein, putative	0.0034	0.061	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0034	0.061	0.5
Loa Loa (eye worm)	carboxylesterase	0.02	0.6318	0.6318
Echinococcus granulosus	peroxidasin	0.0077	0.2109	0.3337
Brugia malayi	hypothetical protein	0.0034	0.061	0.061
Brugia malayi	Carboxylesterase family protein	0.0034	0.061	0.061
Echinococcus granulosus	acetylcholinesterase	0.02	0.6318	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0163	0.0258
Entamoeba histolytica	hypothetical protein	0.0037	0.0705	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Entamoeba histolytica	hypothetical protein	0.0037	0.0705	0.5
Onchocerca volvulus		0.0034	0.061	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0329	0.0329
Echinococcus granulosus	acetylcholinesterase	0.02	0.6318	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0163	0.0163
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0163	0.0258
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.2109	0.2109
Brugia malayi	Carboxylesterase family protein	0.0034	0.061	0.061
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0163	0.0258
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0163	0.0163
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0163	0.0258
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.061	0.0965
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0163	0.0163
Onchocerca volvulus		0.0034	0.061	0.0454
Loa Loa (eye worm)	acetylcholinesterase 1	0.02	0.6318	0.6318
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0329	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0034	0.061	0.0965
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0034	0.061	0.0965
Loa Loa (eye worm)	carboxylesterase	0.0034	0.061	0.061
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0163	0.0258
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0163	0.0258
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0163	0.0163
Onchocerca volvulus	Chorion peroxidase homolog	0.0077	0.2109	0.1978
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0163	0.0258
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0705	0.1116
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.2109	0.2109
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0639	0.0639
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0034	0.061	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0163	0.0258
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.3617	0.3617
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.2109	0.2109
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0705	0.1116
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0329	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Loa Loa (eye worm)	hypothetical protein	0.02	0.6318	0.6318
Leishmania major	hypothetical protein, conserved	0.0026	0.0329	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0163	0.0163
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0163	0.0258
Schistosoma mansoni	hypothetical protein	0.0172	0.5365	0.8492
Loa Loa (eye worm)	blistered cuticle protein 3	0.0077	0.2109	0.2109
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0163	0.0163
Onchocerca volvulus	Peroxidasin homolog	0.0077	0.2109	0.1978
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0001	0.0001
Brugia malayi	nuclear hormone receptor	0.0021	0.0163	0.0163
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0163	0.0163
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0163	0.0258
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0163	0.0258
Onchocerca volvulus		0.0034	0.061	0.0454
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0163	0.0258
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0001	0.0001
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0163	0.0258
Mycobacterium ulcerans	carboxylesterase, LipT	0.0034	0.061	0.5
Schistosoma mansoni	coup transcription factor	0.0021	0.0163	0.0258
Schistosoma mansoni	gliotactin	0.0034	0.061	0.0965
Echinococcus multilocularis	acetylcholinesterase	0.02	0.6318	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0163	0.0258
Onchocerca volvulus	Dual oxidase homolog	0.0077	0.2109	0.1978
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0001	0.0001
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.02	0.6318	1
Loa Loa (eye worm)	hypothetical protein	0.0307	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0163	0.0258
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Brugia malayi	Carboxylesterase family protein	0.02	0.6318	0.6318
Brugia malayi	hypothetical protein	0.0026	0.0329	0.0329
Echinococcus granulosus	BC026374 protein S09 family	0.0034	0.061	0.0965
Echinococcus granulosus	geminin	0.0172	0.5365	0.8492
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0163	0.0163
Schistosoma mansoni	hypothetical protein	0.0035	0.0639	0.1011
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.2109	0.2109
Echinococcus multilocularis	carboxylesterase 5A	0.02	0.6318	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0034	0.061	0.0965
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.119	0.119
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0163	0.0163
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0163	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0639	0.0639
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Brugia malayi	Carboxylesterase family protein	0.02	0.6318	0.6318
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0034	0.061	0.0965
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0705	0.1116
Schistosoma mansoni	BC026374 protein (S09 family)	0.0034	0.061	0.0965
Onchocerca volvulus		0.0077	0.2109	0.1978
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0163	0.0163
Schistosoma mansoni	peroxidasin	0.0077	0.2109	0.3337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1046	0.1656
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0163	0.0163
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0163	0.0258
Brugia malayi	Carboxylesterase family protein	0.0034	0.061	0.061
Echinococcus granulosus	neuroligin	0.0034	0.061	0.0965
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0163	0.0163
Schistosoma mansoni	hypothetical protein	0.0037	0.0705	0.1116
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1046	0.1656
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0163	0.0258
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0329	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.061	0.0965
Echinococcus multilocularis	neuroligin	0.0034	0.061	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus multilocularis	acetylcholinesterase	0.02	0.6318	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0329	1
Schistosoma mansoni	acetylcholinesterase	0.0034	0.061	0.0965
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0163	0.0163
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0163	0.0163
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0163	0.0163
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.119	0.119
Loa Loa (eye worm)	hypothetical protein	0.0034	0.061	0.061
Brugia malayi	Peroxidasin	0.0077	0.2109	0.2109
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.2109	0.2109
Loa Loa (eye worm)	hypothetical protein	0.0051	0.119	0.119
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0001	0.0001
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.119	0.119
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.2109	0.2109
Brugia malayi	ecdysteroid receptor	0.0021	0.0163	0.0163
Schistosoma mansoni	hypothetical protein	0.0172	0.5365	0.8492
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0163	0.0163
Onchocerca volvulus	Peroxidase homolog	0.0077	0.2109	0.1978
Echinococcus multilocularis	peroxidasin	0.0077	0.2109	0.3337
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1046	0.1656
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0163	0.0163
Onchocerca volvulus		0.0307	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.2109	0.2109
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.3617	0.3617
Brugia malayi	MH2 domain containing protein	0.0121	0.3617	0.3617
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2109	0.2109
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0163	0.0258
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0001	0.0001
Onchocerca volvulus	Peroxidasin homolog	0.0077	0.2109	0.1978
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1046	0.1656

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	31.6228 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)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

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: CHEMBL1512333

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1376334