TDR Targets

Basic information

Technical information

TDR Targets ID: 1413491
Name: N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydr azide
MW: 301.297 | Formula: C15H15N3O4
H donors: 2 H acceptors: 3 LogP: 1.57 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)cc(c1)C(=O)NNC(=O)c1ccccn1
InChi: 1S/C15H15N3O4/c1-21-11-7-10(8-12(9-11)22-2)14(19)17-18-15(20)13-5-3-4-6-16-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChiKey: QFJBNXIKNQOTSZ-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

N'-[(3,5-dimethoxyphenyl)-oxomethyl]-2-pyridinecarbohydrazide
N'-(3,5-dimethoxybenzoyl)picolinohydrazide
N'-(3,5-dimethoxyphenyl)carbonylpyridine-2-carbohydrazide
3,5-Dimethoxy-benzoic acid N'-(pyridine-2-carbonyl)-hydrazide
MLS000591315
SMR000218841
STOCK2S-68120
ZINC00535333

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	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
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723

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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	UDP-glucose 4-epimerase	0.0056	0.0053	0.0106
Loa Loa (eye worm)	histone deacetylase 3	0.1144	0.2428	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.1144	0.2428	1
Schistosoma mansoni	hypothetical protein	0.0041	0.002	0.0077
Trypanosoma brucei	histone deacetylase 2	0.0471	0.0959	0.3888
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0045	0.0028	0.0011
Onchocerca volvulus		0.0043	0.0025	0.0249
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0025	0.0098
Loa Loa (eye worm)	hypothetical protein	0.006	0.0062	0.0254
Echinococcus granulosus	histone deacetylase	0.1031	0.2182	0.8986
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0045	0.0028	0.0011
Trypanosoma cruzi	UDP-galactose 4-epimerase	0.0058	0.0058	0.0136
Schistosoma mansoni	hypothetical protein	0.0205	0.0377	0.1548
Entamoeba histolytica	histone deacetylase, putative	0.1144	0.2428	1
Loa Loa (eye worm)	hypothetical protein	0.056	0.1153	0.4748
Schistosoma mansoni	cpg binding protein	0.0038	0.0013	0.0048
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0001	0.0005
Trypanosoma cruzi	UDP-galactose 4-epimerase, putative	0.0058	0.0058	0.0136
Trypanosoma brucei	histone deacetylase 4	0.1031	0.2182	0.8976
Toxoplasma gondii	ubiquitin specific protease 39 isoform 2, putative	0.0045	0.0028	0.0011
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0096	0.0139	0.0463
Echinococcus granulosus	cpg binding protein	0.0038	0.0013	0.0048
Mycobacterium ulcerans	N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB	0.0052	0.0043	0.0018
Trypanosoma brucei	histone deacetylase 3	0.1031	0.2182	0.8976
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0045	0.0028	0.0114
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0045	0.0028	0.0011
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0038	0.0013	0.0053
Echinococcus multilocularis	N acetylglucosaminyl phosphatidylinositol	0.0052	0.0043	0.0174
Toxoplasma gondii	histone deacetylase HDAC2	0.1144	0.2428	1
Echinococcus granulosus	geminin	0.0205	0.0377	0.1548
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 5	0.0045	0.0028	0.0109
Plasmodium vivax	histone deacetylase 2, putative	0.1031	0.2182	0.8976
Mycobacterium leprae	N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase)	0.0052	0.0043	0.0018
Schistosoma mansoni	N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase	0.0052	0.0043	0.0174
Loa Loa (eye worm)	histone deacetylase 7A	0.1031	0.2182	0.8987
Trichomonas vaginalis	BRCA1-associated protein, putative	0.0045	0.0028	0.0011
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0058	0.0058	0.0136
Toxoplasma gondii	histone deacetylase HDAC1	0.1031	0.2182	0.8976
Echinococcus granulosus	histone deacetylase 6	0.1076	0.228	0.9388
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0253	0.1043
Echinococcus multilocularis	UDP glucose 4 epimerase	0.0058	0.0058	0.0232
Trypanosoma cruzi	histone deacetylase, putative	0.1031	0.2182	0.8976
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0025	0.0104
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.002	0.0077
Trypanosoma brucei	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0045	0.0028	0.0011
Leishmania major	udp-glc 4-epimerase, putative	0.0056	0.0053	0.0117
Schistosoma mansoni	ubiquitin-specific peptidase 5 (C19 family)	0.0045	0.0028	0.0109
Plasmodium vivax	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0045	0.0028	0.0011
Loa Loa (eye worm)	hypothetical protein	0.1144	0.2428	1
Trypanosoma cruzi	N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative	0.0052	0.0043	0.0076
Plasmodium vivax	N-acetylglucosaminylphosphatidylinositol deacetylase, putative	0.0052	0.0043	0.0076
Echinococcus granulosus	histone deacetylase 3	0.1144	0.2428	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1144	0.2428	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0028	0.0011
Trichomonas vaginalis	histone deacetylase, putative	0.1144	0.2428	1
Echinococcus granulosus	u4:u6.u5 tri snrnp associated protein 2	0.0045	0.0028	0.0109
Trypanosoma cruzi	histone deacetylase, putative	0.1031	0.2182	0.8976
Trypanosoma cruzi	histone deacetylase, putative	0.0471	0.0959	0.3888
Echinococcus granulosus	histone deacetylase 7	0.1031	0.2182	0.8986
Schistosoma mansoni	histone deacetylase 1 2 3	0.0471	0.0959	0.3948
Trypanosoma brucei	N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase	0.0052	0.0043	0.0076
Leishmania major	hypothetical protein, conserved	0.0045	0.0028	0.0011
Plasmodium vivax	histone deacetylase 1, putative	0.1144	0.2428	1
Loa Loa (eye worm)	histone deacetylase 11	0.0471	0.0959	0.3951
Plasmodium falciparum	N-acetylglucosaminylphosphatidylinositol deacetylase, putative	0.0052	0.0043	0.0065
Schistosoma mansoni	UDP-glucose 4-epimerase	0.0058	0.0058	0.0232
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0001	0.0005
Trypanosoma cruzi	histone deacetylase, putative	0.1031	0.2182	0.8976
Loa Loa (eye worm)	hypothetical protein	0.0041	0.002	0.0083
Brugia malayi	hypothetical protein	0.0043	0.0025	0.0098
Brugia malayi	Histone deacetylase 1	0.1144	0.2428	1
Plasmodium falciparum	histone deacetylase 2	0.1031	0.2182	0.8975
Entamoeba histolytica	N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative	0.0052	0.0043	0.0076
Brugia malayi	hypothetical protein	0.0148	0.0253	0.1038
Mycobacterium ulcerans	mycothiol conjugate amidase Mca	0.4611	1	1
Entamoeba histolytica	UDP-glucose 4-epimerase, putative	0.0058	0.0058	0.0136
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0045	0.0028	0.0114
Echinococcus multilocularis	histone deacetylase 8	0.0471	0.0959	0.3948
Echinococcus multilocularis	histone deacetylase	0.1031	0.2182	0.8986
Plasmodium vivax	histone deacetylase, putative	0.1031	0.2182	0.8976
Brugia malayi	Histone deacetylase family protein	0.1031	0.2182	0.8986
Schistosoma mansoni	hypothetical protein	0.0205	0.0377	0.1548
Onchocerca volvulus		0.0044	0.0025	0.025
Trypanosoma brucei	histone deacetylase 1	0.1144	0.2428	1
Trichomonas vaginalis	histone deacetylase, putative	0.1144	0.2428	1
Echinococcus granulosus	histone deacetylase 1	0.1144	0.2428	1
Schistosoma mansoni	histone deacetylase 4 5	0.1031	0.2182	0.8986
Trypanosoma brucei	histone deacetylase, putative	0.1031	0.2182	0.8976
Plasmodium falciparum	histone deacetylase, putative	0.1031	0.2182	0.8975
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0103
Leishmania major	histone deacetylase, putative	0.1031	0.2182	0.8976
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.0028	0.0011
Trichomonas vaginalis	brca1-associated protein, putative	0.0045	0.0028	0.0011
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0028	0.0011
Echinococcus multilocularis	histone deacetylase 6	0.1031	0.2182	0.8986
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0028	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0103
Trichomonas vaginalis	histone deacetylase, putative	0.1144	0.2428	1
Leishmania major	hypothetical protein, conserved	0.0045	0.0028	0.0011
Toxoplasma gondii	hypothetical protein	0.0096	0.0139	0.0474
Toxoplasma gondii	histone deacetylase HDAC3	0.1144	0.2428	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0028	0.0109
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0028	0.0011
Brugia malayi	histone deacetylase 11	0.0471	0.0959	0.3948
Brugia malayi	Histone deacetylase family protein	0.1031	0.2182	0.8986
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 22	0.0045	0.0028	0.0109
Echinococcus multilocularis	u4:u6.u5 tri snrnp associated protein 2	0.0045	0.0028	0.0109
Schistosoma mansoni	histone deacetylase	0.1144	0.2428	1
Toxoplasma gondii	UBA/TS-N domain-containing protein	0.0045	0.0028	0.0011
Echinococcus multilocularis	histone deacetylase 3	0.1144	0.2428	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0028	0.0011
Entamoeba histolytica	glucosamine-6-phosphate isomerase, putative	0.0052	0.0043	0.0076
Loa Loa (eye worm)	histone deacetylase 1	0.1144	0.2428	1
Echinococcus granulosus	histone deacetylase 6	0.1031	0.2182	0.8986
Trichomonas vaginalis	UDP-glucose 4-epimerase, putative	0.0058	0.0058	0.0136
Echinococcus multilocularis	disco interacting protein 2	0.0044	0.0025	0.0099
Echinococcus multilocularis	histone deacetylase 6	0.1031	0.2182	0.8986
Echinococcus multilocularis	BRCA1 associated protein	0.0045	0.0028	0.0109
Echinococcus granulosus	disco interacting protein 2	0.0044	0.0025	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0103
Brugia malayi	beta-lactamase	0.0043	0.0025	0.0098
Schistosoma mansoni	cpg binding protein	0.0038	0.0013	0.0048
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0062	0.0249
Brugia malayi	histone deacetylase 1 (HD1)	0.1144	0.2428	1
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0045	0.0028	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0103
Trichomonas vaginalis	histone deacetylase, putative	0.1144	0.2428	1
Brugia malayi	histone deacetylase 3 (HD3)	0.1144	0.2428	1
Leishmania major	histone deacetylase, putative	0.1144	0.2428	1
Leishmania major	histone deacetylase, putative	0.1031	0.2182	0.8976
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.0028	0.0011
Leishmania major	histone deacetylase, putative	0.1144	0.2428	1
Toxoplasma gondii	histone deacetylase HDAC5	0.0471	0.0959	0.3888
Giardia lamblia	Glucosamine-6-phosphate isomerase, putative	0.0052	0.0043	0.0065
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0058	0.0058	0.0136
Trypanosoma cruzi	N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative	0.0052	0.0043	0.0076
Loa Loa (eye worm)	histone deacetylase	0.1031	0.2182	0.8987
Loa Loa (eye worm)	hypothetical protein	0.0605	0.1251	0.515
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0062	0.0249
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0025	0.0098
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0028	0.0011
Toxoplasma gondii	N-acetylglucosaminylphosphatidylinositol deacetylase	0.0052	0.0043	0.0076
Schistosoma mansoni	histone deacetylase hda2	0.1076	0.228	0.9388
Echinococcus multilocularis	histone deacetylase 7	0.1031	0.2182	0.8986
Giardia lamblia	Histone deacetylase	0.1144	0.2428	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0025	0.0098
Leishmania major	N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase	0.0052	0.0043	0.0076
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0025	0.0103
Toxoplasma gondii	histone deacetylase HDAC4	0.0471	0.0959	0.3888
Loa Loa (eye worm)	hypothetical protein	0.0471	0.0959	0.3951
Schistosoma mansoni	brca1-associated protein (brap2)	0.0045	0.0028	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0253	0.1043
Loa Loa (eye worm)	phosphatidylinositol glycan anchor biosynthesis protein	0.0052	0.0043	0.0179
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0052	0.0043	0.0076
Echinococcus granulosus	N acetylglucosaminyl phosphatidylinositol	0.0052	0.0043	0.0174
Schistosoma mansoni	hypothetical protein	0.0043	0.0025	0.0098
Echinococcus multilocularis	cpg binding protein	0.0038	0.0013	0.0048
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0025	0.0098
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0028	0.0011
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0471	0.0959	1
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0253	0.263
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0103
Brugia malayi	Disco-interacting protein 2 homolog	0.0044	0.0025	0.0099
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0044	0.0025	0.0099
Onchocerca volvulus		0.0043	0.0025	0.0249
Onchocerca volvulus	Uncharacterized RING finger protein homolog	0.0045	0.0028	0.0276
Schistosoma mansoni	histone deacetylase 4 5	0.1031	0.2182	0.8986
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase 5, putative	0.0045	0.0028	0.0011
Plasmodium vivax	histone deacetylase, putative	0.0471	0.0959	0.3888
Onchocerca volvulus		0.0038	0.0013	0.0121
Plasmodium falciparum	histone deacetylase 1	0.1144	0.2428	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1144	0.2428	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0025	0.0098
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0028	0.0011
Schistosoma mansoni	histone deacetylase hda2	0.0471	0.0959	0.3948
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0025	0.0098
Schistosoma mansoni	histone deacetylase	0.1144	0.2428	1
Mycobacterium tuberculosis	N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase)	0.0052	0.0043	0.0019
Echinococcus granulosus	BRCA1 associated protein	0.0045	0.0028	0.0109
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0028	0.0109
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1144	0.2428	1
Trypanosoma brucei	UDP-galactose 4-epimerase	0.0056	0.0053	0.0117
Trypanosoma cruzi	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0045	0.0028	0.0011
Brugia malayi	UDP galactose 4'-epimerase	0.0058	0.0058	0.0232
Toxoplasma gondii	UDP-glucose 4-epimerase	0.0058	0.0058	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0001	0.0005
Echinococcus multilocularis	histone deacetylase 1	0.1144	0.2428	1
Loa Loa (eye worm)	BRCA1-associated protein 2 containing protein	0.0045	0.0028	0.0114
Onchocerca volvulus		0.0043	0.0025	0.0249
Loa Loa (eye worm)	ubiquitin specific peptidase 39	0.0045	0.0028	0.0114
Brugia malayi	Uncharacterized LmbE-like protein, COG2120 containing protein	0.0052	0.0043	0.0174
Trypanosoma cruzi	histone deacetylase, putative	0.0471	0.0959	0.3888
Echinococcus granulosus	UDP glucose 4 epimerase	0.0058	0.0058	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0103
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0025	0.0098
Echinococcus multilocularis	histone deacetylase 6	0.1076	0.228	0.9388
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0025	0.0098
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 22	0.0045	0.0028	0.0109
Schistosoma mansoni	brca1-associated protein (brap2)	0.0045	0.0028	0.0109
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0052	0.0043	0.0019
Trypanosoma cruzi	histone deacetylase 1, putative	0.1144	0.2428	1
Trypanosoma brucei	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0045	0.0028	0.0011
Brugia malayi	CXXC zinc finger family protein	0.0038	0.0013	0.0048
Schistosoma mansoni	cpg binding protein	0.0038	0.0013	0.0048
Brugia malayi	BRCA1-associated protein 2 containing protein	0.0045	0.0028	0.0109
Mycobacterium tuberculosis	Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)	0.456	0.9887	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0028	0.0011
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.0537	0.0519
Trichomonas vaginalis	histone deacetylase, putative	0.1144	0.2428	1
Trichomonas vaginalis	histone deacetylase, putative	0.1144	0.2428	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0062	0.0254
Schistosoma mansoni	family C19 non-peptidase homologue (C19 family)	0.0045	0.0028	0.0109
Schistosoma mansoni	ubiquitin-specific peptidase 44 (C19 family)	0.0045	0.0028	0.0109
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0025	0.0098
Echinococcus multilocularis	geminin	0.0205	0.0377	0.1548
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0025	0.0103
Toxoplasma gondii	Zn-finger in ubiquitin-hydrolases domain-containing protein	0.0045	0.0028	0.0011
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0253	0.263
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0028	0.0011
Loa Loa (eye worm)	UDP galactose 4'-epimerase	0.0058	0.0058	0.0238
Brugia malayi	beta-lactamase family protein	0.0043	0.0025	0.0098
Echinococcus granulosus	histone deacetylase 6	0.1031	0.2182	0.8986
Echinococcus granulosus	histone deacetylase 8	0.0471	0.0959	0.3948
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0045	0.0028	0.0114

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.2944 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)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5131 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)	7.3078 uM	PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.1995 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	9.285 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)	= 11.2202 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)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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 (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	23.1093 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 Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	31.6228 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	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: CHEMBL1548803

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1413491