TDR Targets

Basic information

Technical information

TDR Targets ID: 848219
Name: 5-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl) furan-2-carboxamide
MW: 347.195 | Formula: C17H12Cl2N2O2
H donors: 1 H acceptors: 2 LogP: 3.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)c1ccc(o1)C(=O)NCc1cccnc1)Cl
InChi: 1S/C17H12Cl2N2O2/c18-12-3-4-14(19)13(8-12)15-5-6-16(23-15)17(22)21-10-11-2-1-7-20-9-11/h1-9H,10H2,(H,21,22)
InChiKey: GBYSKDLNUGOFNK-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

5-(2,5-dichlorophenyl)-N-(3-pyridylmethyl)furan-2-carboxamide
5-(2,5-dichlorophenyl)-N-(3-pyridylmethyl)-2-furancarboxamide
5-(2,5-dichlorophenyl)-N-(3-pyridylmethyl)-2-furamide
6085-50-3
MLS000765392
CBMicro_017789
SMR000289497
BIM-0017793.P001
AN-023/13853153
5-(2,5-Dichloro-phenyl)-furan-2-carboxylic acid (pyridin-3-ylmethyl)-amide
BAS 03144599
Oprea1_862123
ZINC04620922

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	chromobox homolog 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Theileria parva	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Chromobox protein homolog 5, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Onchocerca volvulus	Heterochromatin protein 1 homolog	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Loa Loa (eye worm)	heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Onchocerca volvulus		Get druggable targets OG5_129545	All targets in OG5_129545

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0008	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Echinococcus granulosus	jun protein	0.0447	0.4671	0.5323
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1742	0.3826
Echinococcus multilocularis	protein patched	0.0049	0.0405	0.0405
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0069	0.0611	0.0697
Schistosoma mansoni	coup transcription factor	0.0012	0.0008	0.0021
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0014	0.0025	0.0372
Brugia malayi	Protein cec-1.	0.0014	0.0025	0.0036
Echinococcus multilocularis	Niemann Pick C1 protein	0.0115	0.1106	0.1106
Echinococcus granulosus	JmjC domain containing protein 4	0.0018	0.0073	0.0083
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0663	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0008	0.0009
Onchocerca volvulus		0.0014	0.0025	0.0046
Brugia malayi	jmjC domain containing protein	0.0069	0.0611	0.1294
Brugia malayi	hypothetical protein	0.0014	0.0029	0.0045
Brugia malayi	M-phase phosphoprotein, mpp8	0.0014	0.0025	0.0036
Schistosoma mansoni	netrin receptor unc5	0.0067	0.0592	0.1569
Loa Loa (eye worm)	jmjC domain-containing protein	0.0069	0.0611	0.1332
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0663	1
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0014	0.0025	0.0028
Schistosoma mansoni	hypothetical protein	0.0205	0.2069	0.5485
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0447	0.4671	0.5323
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.0611	0.162
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0008	0.0009
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0173	0.1326
Echinococcus multilocularis	Chromo domain	0.0014	0.0025	0.0025
Brugia malayi	Associated with TFs and helicases family protein	0.0014	0.0025	0.0036
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0235	0.3017
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0316
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0014	0.0025	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Echinococcus multilocularis	fos transcription factor	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0001
Entamoeba histolytica	hypothetical protein	0.0042	0.0326	0.2949
Echinococcus granulosus	Niemann Pick C1 protein	0.0115	0.1106	0.126
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0067	0.0592	0.1253
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0074	0.0084
Echinococcus granulosus	jumonji domain containing 1A	0.0018	0.0073	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Brugia malayi	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0025	0.0037
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0199
Schistosoma mansoni	chromobox protein	0.0084	0.0778	0.2063
Schistosoma mansoni	hypothetical protein	0.0042	0.0326	0.0865
Echinococcus granulosus	lysine specific demethylase 6a	0.0018	0.0073	0.0083
Brugia malayi	hypothetical protein	0.0012	0.0009	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0199
Echinococcus multilocularis	muscleblind protein 1	0.0174	0.1742	0.1742
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0173	0.0354
Onchocerca volvulus		0.0012	0.0009	0.0002
Echinococcus multilocularis	protein dispatched 1	0.0056	0.0479	0.0479
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0499	0.1054
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0316
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0074	0.0084
Schistosoma mansoni	hypothetical protein	0.0047	0.0386	0.1022
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0018	0.0073	0.7419
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0499	0.1085
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0025	0.2507
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0074	0.0142
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0014	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0001
Brugia malayi	bZIP transcription factor family protein	0.0447	0.4671	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1106	0.2423
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0049	0.0405	0.0875
Onchocerca volvulus		0.0014	0.0025	0.0046
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Echinococcus granulosus	Protein patched homolog 1	0.0049	0.0405	0.0461
Echinococcus multilocularis	cAMP responsive element binding protein 3	0.0012	0.0009	0.0009
Brugia malayi	Heterochromatin protein 1	0.0084	0.0778	0.1653
Plasmodium vivax	JmjC domain containing protein	0.0018	0.0073	0.7419
Schistosoma mansoni	hypothetical protein	0.0014	0.0025	0.0065
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0067	0.0592	0.0674
Echinococcus multilocularis	netrin receptor unc 5	0.0067	0.0592	0.0592
Loa Loa (eye worm)	CHromoDomain protein family member	0.0014	0.0025	0.0037
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0014	0.0025	0.0025
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0173	0.1565
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0098	0.0209
Brugia malayi	jmjC domain containing protein	0.0018	0.0073	0.0139
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0173	0.1507
Echinococcus granulosus	sterol regulatory element binding protein	0.0049	0.0405	0.0461
Trichomonas vaginalis	chromobox protein, putative	0.0014	0.0025	0.0316
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0421	0.5405
Brugia malayi	SET domain containing protein	0.0014	0.0025	0.0036
Schistosoma mansoni	hypothetical protein	0.0047	0.0386	0.1022
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0008	0.0008
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0008	0.0021
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0173	0.1326
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0074	0.0074
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0303	0.0632
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0115	0.1106	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0069	0.0611	0.0611
Schistosoma mansoni	hypothetical protein	0.0047	0.0386	0.1022
Schistosoma mansoni	protein phosphatase 2C	0.0018	0.0073	0.0193
Brugia malayi	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0421	0.1136
Entamoeba histolytica	hypothetical protein	0.0042	0.0326	0.2949
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0778	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0025	0.0037
Entamoeba histolytica	hypothetical protein	0.0042	0.0326	0.2949
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0018	0.0073	0.11
Echinococcus granulosus	Ankyrin	0.0067	0.0596	0.0679
Schistosoma mansoni	camp-response element binding protein-related	0.0012	0.0009	0.0023
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0012	0.0009	0.0009
Echinococcus granulosus	Chromo domain	0.0014	0.0025	0.0028
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0173	0.1326
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0098	1
Brugia malayi	Valyl-tRNA synthetase	0.0014	0.0025	0.0036
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0316
Schistosoma mansoni	hypothetical protein	0.0012	0.0009	0.0023
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0008	0.0008
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0173	0.1565
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0173	0.1326
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0008	0.0021
Echinococcus multilocularis	jun protein	0.0447	0.4671	0.4671
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0098	1
Schistosoma mansoni	jun-related protein	0.0364	0.3773	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0592	0.1289
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Echinococcus granulosus	lysine specific demethylase 5A	0.0069	0.0611	0.0697
Brugia malayi	Uncoordinated protein 44	0.0067	0.0592	0.1253
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0223
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0008	0.0009
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0173	0.1326
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0014	0.0025	0.0036
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0014	0.0025	0.0065
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0173	0.5
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0014	0.0025	0.0065
Schistosoma mansoni	chromobox protein	0.0014	0.0025	0.0065
Echinococcus granulosus	muscleblind protein	0.0174	0.1742	0.1985
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0008	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0173	0.0354
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0008	0.0009
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0008	0.0008
Loa Loa (eye worm)	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0008	0.0021
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0008	0.0021
Echinococcus granulosus	Niemann Pick C1 protein	0.0164	0.1634	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0199
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0173	0.1565
Schistosoma mansoni	chromobox protein	0.0014	0.0025	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0382	0.0826
Echinococcus multilocularis	Niemann Pick C1 protein	0.0164	0.1634	0.1634
Onchocerca volvulus	Netrin receptor homolog	0.0067	0.0592	0.1607
Trichomonas vaginalis	Heterochromatin protein, putative	0.0014	0.0025	0.0316
Schistosoma mansoni	camp-response element binding protein-related	0.0012	0.0009	0.0023
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0382	0.4912
Entamoeba histolytica	hypothetical protein	0.0014	0.0025	0.0223
Giardia lamblia	Replication factor C, subunit 1	0.0011	0	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0173	0.1507
Echinococcus multilocularis	cyclic AMP responsive element binding protein	0.0012	0.0009	0.0009
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0074	0.0074
Echinococcus granulosus	fos transcription factor	0.0012	0.0009	0.001
Loa Loa (eye worm)	hypothetical protein	0.006	0.0523	0.1137
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0008	0.0021
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0067	0.0592	0.0592
Schistosoma mansoni	jumonji domain containing protein	0.0069	0.0611	0.162
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0008	0.0021
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0499	0.1085
Echinococcus granulosus	cyclic AMP dependent transcription factor ATF 6	0.0012	0.0009	0.001
Loa Loa (eye worm)	hypothetical protein	0.004	0.0303	0.065
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0173	0.1698
Echinococcus multilocularis	expressed conserved protein	0.0108	0.1032	0.1032
Onchocerca volvulus		0.0014	0.0025	0.0046
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0663	0.0663
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0008	0.0008
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0008	0.0008
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0499	0.1054
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0663	0.1756
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0173	0.0365
Schistosoma mansoni	ankyrin 23/unc44	0.0067	0.0592	0.1569
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0014	0.0025	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0273	0.0586
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0173	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.0611	0.162
Schistosoma mansoni	hypothetical protein	0.0364	0.3773	1
Brugia malayi	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0831	0.8776	0.8776
Brugia malayi	jmjC domain containing protein	0.0018	0.0073	0.0139
Schistosoma mansoni	camp-response element binding protein	0.0012	0.0009	0.0023
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0223
Schistosoma mansoni	hypothetical protein	0.0067	0.0592	0.1569
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Echinococcus granulosus	cyclic AMP responsive element binding protein	0.0012	0.0009	0.001
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0074	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0025	0.0037
Echinococcus multilocularis	cyclic AMP dependent transcription factor ATF 6	0.0012	0.0009	0.0009
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0663	0.0755
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0074	0.0146
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.0778	0.17
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0778	0.0778
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.0405	0.5196
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0018	0.0073	0.5
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0014	0.0025	0.0372
Brugia malayi	CHD4 protein	0.0014	0.0025	0.0036
Echinococcus multilocularis	lysine specific demethylase 6a	0.0018	0.0073	0.0073
Onchocerca volvulus		0.0351	0.3642	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Echinococcus granulosus	death domain containing protein	0.0067	0.0592	0.0674
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0008	0.0008
Entamoeba histolytica	hypothetical protein	0.0014	0.0025	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0382	0.4912
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0008	0.0009
Loa Loa (eye worm)	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0073	0.0143
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0008	0.0008
Schistosoma mansoni	hypothetical protein	0.0018	0.0074	0.0196
Echinococcus granulosus	cyclic AMP responsive element binding protein	0.0012	0.0009	0.001
Brugia malayi	Niemann-Pick C1 protein precursor	0.0115	0.1106	0.2355
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0663	1
Schistosoma mansoni	hypothetical protein	0.004	0.0303	0.0802
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0008	0.0021
Echinococcus granulosus	expressed protein	0.0012	0.0009	0.001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Loa Loa (eye worm)	helicase	0.0014	0.0025	0.0037
Trichomonas vaginalis	chromobox protein, putative	0.0014	0.0025	0.0316
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0018	0.0073	0.0083
Trichomonas vaginalis	chromobox protein, putative	0.0014	0.0025	0.0316
Brugia malayi	Death domain containing protein	0.0067	0.0592	0.1253
Schistosoma mansoni	camp-response element binding protein-related	0.0012	0.0009	0.0023
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0008	0.0021
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0326	0.0865
Echinococcus granulosus	Chromobox protein 3	0.0014	0.0025	0.0028
Onchocerca volvulus		0.0037	0.0273	0.073
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0173	0.0365
Onchocerca volvulus		0.0028	0.0173	0.0455
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0235	0.3017
Brugia malayi	hypothetical protein	0.0042	0.0326	0.0683
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0831	0.8776	1
Echinococcus multilocularis	phd:f box containing protein	0.0018	0.0073	0.0073
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0421	0.5405
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0382	0.1031
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0025	0.2507
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0025	0.0316
Loa Loa (eye worm)	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0173	0.0365
Brugia malayi	Muscleblind-like protein	0.0174	0.1742	0.3718
Schistosoma mansoni	fos transcription factor-related	0.0012	0.0009	0.0023
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0018	0.0073	0.0073
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0008	0.0021
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0663	1
Schistosoma mansoni	patched 1	0.0049	0.0405	0.1072
Echinococcus granulosus	chromobox protein 2	0.0014	0.0025	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0025	0.0037
Schistosoma mansoni	hypothetical protein	0.0205	0.2069	0.5485
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0008	0.0009
Echinococcus granulosus	cAMP responsive element binding protein 3	0.0012	0.0009	0.001
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0663	1
Echinococcus granulosus	chromobox protein 1	0.0084	0.0778	0.0887
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0067	0.0596	0.158
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0018	0.0073	0.5
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0014	0.0025	0.0372
Echinococcus granulosus	chromobox protein 1	0.0084	0.0778	0.0887
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0326	0.0372
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0173	0.1698
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0073	0.0143
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0014	0.0025	0.0028
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0592	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1742	0.3826
Brugia malayi	jmjC domain containing protein	0.0018	0.0073	0.0139
Echinococcus multilocularis	muscleblind protein	0.0174	0.1742	0.1742
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.0073	0.0193
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0014	0.0025	0.0065
Echinococcus multilocularis	expressed protein	0.0012	0.0009	0.0009
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0073	0.0143
Echinococcus granulosus	geminin	0.0205	0.2069	0.2358
Brugia malayi	CHE-14 protein	0.0049	0.0405	0.0851
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0008	0.0009
Echinococcus granulosus	phd:f box containing protein	0.0018	0.0073	0.0083
Echinococcus multilocularis	jumonji domain containing 1A	0.0018	0.0073	0.0073
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0447	0.4671	0.4671
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0074	0.0142
Plasmodium vivax	heterochromatin protein 1, putative	0.0014	0.0025	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0025	0.0037
Brugia malayi	jmjC domain containing protein	0.0018	0.0073	0.0139
Echinococcus multilocularis	lysine specific demethylase 5A	0.0069	0.0611	0.0611
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0596	0.1298
Echinococcus multilocularis	JmjC domain containing protein 4	0.0018	0.0073	0.0073
Schistosoma mansoni	phosphatidylserine receptor	0.0018	0.0073	0.0193
Echinococcus multilocularis	chromobox protein 2	0.0014	0.0025	0.0025
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0008	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0073	0.0143
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0074	0.0074
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0008	0.0021
Echinococcus granulosus	netrin receptor unc 5	0.0067	0.0592	0.0674
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0173	0.1326
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0018	0.0073	0.11
Loa Loa (eye worm)	hypothetical protein	0.0435	0.454	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0199
Plasmodium falciparum	heterochromatin protein 1	0.0014	0.0025	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0199
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0073	0.0143
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0173	0.0354
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0098	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0663	0.1756
Entamoeba histolytica	hypothetical protein	0.0042	0.0326	0.2949
Echinococcus multilocularis	Ankyrin	0.0067	0.0596	0.0596
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0116	0.1125	0.2982
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0012	0.0009	0.001
Brugia malayi	hypothetical protein	0.0351	0.3642	0.7792
Schistosoma mansoni	chromobox protein	0.0084	0.0778	0.2063
Echinococcus multilocularis	sterol regulatory element binding protein	0.0049	0.0405	0.0405
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0326	0.0326
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0067	0.0592	0.1289
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0405	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0025	0.0037
Entamoeba histolytica	hypothetical protein	0.0014	0.0025	0.0223
Brugia malayi	jmjC domain containing protein	0.0069	0.0611	0.1294
Schistosoma mansoni	hypothetical protein	0.0018	0.0074	0.0196
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0073	0.0143
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0778	1
Echinococcus multilocularis	geminin	0.0205	0.2069	0.2069
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0018	0.0073	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0025	0.0316
Echinococcus granulosus	GPCR family 2	0.0018	0.0074	0.0084
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0173	0.1326
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0014	0.0025	0.0065
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0014	0.0025	0.2507
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0025	0.0316
Brugia malayi	chromobox protein homolog 3	0.0047	0.0382	0.0803
Schistosoma mansoni	hypothetical protein	0.0047	0.0386	0.1022
Schistosoma mansoni	hypothetical protein	0.0018	0.0074	0.0196
Brugia malayi	bZIP transcription factor family protein	0.0012	0.0009	0.0001
Schistosoma mansoni	hypothetical protein	0.0018	0.0074	0.0196
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0778	0.0778
Echinococcus multilocularis	Chromobox protein 3	0.0014	0.0025	0.0025
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0173	0.1326
Schistosoma mansoni	phd/f-box containing protein	0.0018	0.0073	0.0193
Echinococcus granulosus	expressed conserved protein	0.0108	0.1032	0.1175
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0008	0.0008
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0018	0.0073	0.0193
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0173	0.1698
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0008	0.0021
Trichomonas vaginalis	hypothetical protein	0.0014	0.0025	0.0316
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0663	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0029	0.0047

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 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
Potency (functional)	2.5119 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)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	10.4179 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)	11.6891 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)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	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)	23.0999 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)	23.0999 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (binding)	25.1189 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	50.1187 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)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	79.4328 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

Species name	Source	Reference	Is orphan
Saccharomyces cerevisiae	ChEMBL23
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1610102
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 848219