TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 217.224 | Formula: C11H11N3O2
H donors: 2 H acceptors: 2 LogP: 1.78 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/c1c(C)[nH]n(c1=O)c1ccccc1
InChi: 1S/C11H11N3O2/c1-8-10(7-12-16)11(15)14(13-8)9-5-3-2-4-6-9/h2-7,13,16H,1H3/b12-7+
InChiKey: AGRBCHZPAAORSC-KPKJPENVSA-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
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.003	0.0014
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1242	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0016	0.0016
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0074	0.0059
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.003	0.0014
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.003	0.003
Schistosoma mansoni	hypothetical protein	0.0205	0.4083	0.4083
Onchocerca volvulus		0.0032	0.0562	0.1879
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0148	0.0132
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0148	0.0346
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.003	0.0037
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0148	0.0148
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0032	0.0562	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0037
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.003	0.0037
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0148	0.0132
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0032	0.0562	0.0547
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.3424	0.5
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0118	0.0267
Brugia malayi	ecdysteroid receptor	0.0012	0.0148	0.0346
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.7117	0.5
Echinococcus granulosus	geminin	0.0205	0.4083	0.4074
Onchocerca volvulus	Huntingtin homolog	0.0148	0.2924	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0148	0.0453
Brugia malayi	hypothetical protein	0.0032	0.0562	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0148	0.0132
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0032	0.0562	0.0562
Schistosoma mansoni	BC026374 protein (S09 family)	0.0032	0.0562	0.0562
Loa Loa (eye worm)	carboxylesterase	0.0032	0.0562	0.1433
Echinococcus multilocularis	carboxylesterase 5A	0.0192	0.3828	0.3818
Brugia malayi	nuclear hormone receptor	0.0012	0.0148	0.0346
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0148	0.0346
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0148	0.0148
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0148	0.0132
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0148	0.0346
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0148	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0006	0.0016	0.0016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0148	0.0346
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0074	0.0059
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.3424	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0192	0.3828	1
Echinococcus multilocularis	acetylcholinesterase	0.0192	0.3828	0.3818
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0032	0.0562	0.0562
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0102
Onchocerca volvulus		0.0012	0.0148	0.0453
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Echinococcus granulosus	acetylcholinesterase	0.0192	0.3828	0.3818
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0037
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0148	0.0132
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.7117	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0032	0.0562	0.0547
Onchocerca volvulus		0.0032	0.0562	0.1879
Schistosoma mansoni	nuclear receptor	0.0006	0.0016	0.0016
Onchocerca volvulus		0.0035	0.0608	0.2034
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0148	0.0453
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0148	0.0346
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0148	0.0148
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0148	0.0132
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0148	0.0453
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0148	0.0346
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0148	0.0346
Brugia malayi	Carboxylesterase family protein	0.0192	0.3828	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2924	0.7628
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0148	0.0346
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0148	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0148	0.2924	0.7628
Schistosoma mansoni	nuclear receptor nhr-48	0.0006	0.0016	0.0016
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0115	0.0259
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0148	0.0148
Echinococcus granulosus	acetylcholinesterase	0.0192	0.3828	0.3818
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0192	0.3828	0.3828
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0148	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0148	0.0132
Brugia malayi	hypothetical protein	0.0006	0.003	0.0037
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0148	0.0148
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0148	0.0148
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Echinococcus granulosus	BC026374 protein S09 family	0.0032	0.0562	0.0547
Loa Loa (eye worm)	carboxylesterase	0.0032	0.0562	0.1433
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0148	0.0346
Onchocerca volvulus		0.0032	0.0562	0.1879
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Echinococcus multilocularis	acetylcholinesterase	0.0192	0.3828	0.3818
Brugia malayi	nuclear receptor RXR	0.0006	0.003	0.0037
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0148	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0037
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.3424	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0148	0.0346
Brugia malayi	Carboxylesterase family protein	0.0032	0.0562	0.1433
Loa Loa (eye worm)	carboxylesterase	0.0192	0.3828	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0148	0.0346
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0148	0.0148
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Schistosoma mansoni	coup transcription factor	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Brugia malayi	hypothetical protein	0.0148	0.2924	0.7628
Echinococcus multilocularis	neuroligin	0.0032	0.0562	0.0547
Schistosoma mansoni	nuclear receptor	0.0006	0.0016	0.0016
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0032	0.0562	0.0562
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0074	0.0059
Brugia malayi	Carboxylesterase family protein	0.0192	0.3828	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.3828	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0132
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0608	0.1552
Echinococcus multilocularis	para nitrobenzyl esterase	0.0032	0.0562	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Schistosoma mansoni	cpg binding protein	0.0035	0.0608	0.0608
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0148	0.0148
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0006	0.0016	0.0016
Echinococcus multilocularis	geminin	0.0205	0.4083	0.4074
Brugia malayi	steroid hormone receptor	0.0012	0.0148	0.0346
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.003	0.003
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0205	0.4083	0.4083
Schistosoma mansoni	zinc finger protein	0.0006	0.0016	0.0016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0148	0.0346
Schistosoma mansoni	gliotactin	0.0032	0.0562	0.0562
Onchocerca volvulus		0.0032	0.0562	0.1879
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.7117	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0192	0.3828	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Onchocerca volvulus		0.0032	0.0562	0.1879
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0148	0.0132
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0608	0.1552
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0148	0.0346
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0074	0.0074
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0148	0.0346
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0148	0.0148
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1403	0.1403
Brugia malayi	Carboxylesterase family protein	0.0032	0.0562	0.1433
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0148	0.0346
Onchocerca volvulus	Huntingtin homolog	0.0148	0.2924	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0148	0.0148
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0032	0.0562	0.0562
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0148	0.0346
Echinococcus granulosus	neuroligin	0.0032	0.0562	0.0547
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.003	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0037
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0148	0.0132
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0132
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0148	0.0346
Brugia malayi	Carboxylesterase family protein	0.0032	0.0562	0.1433
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0074	0.0059
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0148	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0562	0.1433
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0346
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.7117	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0148	0.0346
Echinococcus granulosus	carboxylesterase 5A	0.0192	0.3828	0.3818
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0148	0.0132
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0148	0.0132
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0148	0.0346
Echinococcus granulosus	para nitrobenzyl esterase	0.0032	0.0562	0.0547
Brugia malayi	hypothetical protein	0.0006	0.003	0.0037
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0148	0.0346
Schistosoma mansoni	acetylcholinesterase	0.0032	0.0562	0.0562
Brugia malayi	Carboxylesterase family protein	0.0032	0.0562	0.1433
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0148	0.0346
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0032	0.0562	0.0713
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0148	0.0346
Trichomonas vaginalis	spcc417.12 protein, putative	0.0032	0.0562	0.0713
Echinococcus granulosus	cpg binding protein	0.0037	0.0648	0.0633
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Echinococcus multilocularis	cpg binding protein	0.0037	0.0648	0.0633
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.7117	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0148	0.0132

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	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)	= 15.8114 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 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)	32.6427 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Giardia lamblia growth inhibition. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	79.4328 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)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL3145291

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1855035