TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.226 | Formula: C11H11F3N4O
H donors: 1 H acceptors: 4 LogP: 1.01 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#C/C(=C(/C(F)(F)F)\O)/c1nnc2n1CCCCC2
InChi: 1S/C11H11F3N4O/c12-11(13,14)9(19)7(6-15)10-17-16-8-4-2-1-3-5-18(8)10/h19H,1-5H2/b9-7+
InChiKey: SIFLMJWHXCRURS-VQHVLOKHSA-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
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	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
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
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
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	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
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	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
Mycobacterium ulcerans	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
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	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 infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Mycobacterium ulcerans	3-isopropylmalate dehydrogenase	0.0179	0.1089	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0057	0.025	0.2296
Brugia malayi	phosphofructokinase	0.0094	0.0503	0.0503
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0165	0.0165
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0179	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0051	0.0051
Loa Loa (eye worm)	phosphofructokinase	0.0094	0.0503	0.0503
Brugia malayi	ecdysteroid receptor	0.0145	0.0857	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0362	0.1339
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0025	0.0032	0.5
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0094	0.0503	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.025
Toxoplasma gondii	phosphofructokinase PFKII	0.0025	0.0032	0.0032
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0051	0.0051
Loa Loa (eye worm)	beta-lactamase	0.0057	0.025	0.025
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0165	0.0165
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0362	0.0362
Mycobacterium ulcerans	6-phosphofructokinase	0.0094	0.0503	0.3013
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0015	0.0134
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.025	0.025
Brugia malayi	Probable isocitrate dehydrogenase	0.0179	0.1089	0.1089
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0165	0.0165
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0025	0.0032	0.0032
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0025	0.0032	0.0032
Schistosoma mansoni	hypothetical protein	0.03	0.1925	0.1925
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0057	0.025	0.025
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1472	1	1
Brugia malayi	Importin beta-1 subunit	0.0028	0.0051	0.0051
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0179	0.1089	0.1089
Trichomonas vaginalis	phosphofructokinase, putative	0.0094	0.0503	0.4617
Trichomonas vaginalis	D-aminoacylase, putative	0.0057	0.025	0.2296
Leishmania major	isocitrate dehydrogenase, putative	0.0179	0.1089	0.1089
Loa Loa (eye worm)	6-phosphofructokinase	0.0094	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.025
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0362	0.0362
Brugia malayi	6-phosphofructokinase	0.0094	0.0503	0.0503
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0362	0.0362
Loa Loa (eye worm)	isocitrate dehydrogenase	0.1472	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.1472	1	1
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0179	0.1089	0.1089
Trichomonas vaginalis	phosphofructokinase, putative	0.0025	0.0032	0.0289
Brugia malayi	Isocitrate dehydrogenase	0.1472	1	1
Schistosoma mansoni	importin beta-1	0.0028	0.0051	0.0051
Leishmania major	hypothetical protein, conserved	0.0057	0.025	0.025
Schistosoma mansoni	hypothetical protein	0.0477	0.3147	0.3147
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0165	0.0165
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0362	0.0362
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0094	0.0503	0.0503
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.1472	1	1
Schistosoma mansoni	6-phosphofructokinase	0.0094	0.0503	0.0503
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.0179	0.1089	0.1089
Entamoeba histolytica	phosphofructokinase, putative	0.0094	0.0503	0.4617
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0364	0.2368	0.2172
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0301	0.1931	0.1931
Entamoeba histolytica	hypothetical protein	0.0023	0.0015	0.0134
Plasmodium vivax	hypothetical protein, conserved	0.0057	0.025	0.025
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.0179	0.1089	0.5
Trichomonas vaginalis	phosphofructokinase, putative	0.0025	0.0032	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0857	0.0857
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0051	0.0051
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.1472	1	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.025
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0051	0.0051
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0179	0.1089	0.1089
Entamoeba histolytica	phosphofructokinase, putative	0.0094	0.0503	0.4617
Toxoplasma gondii	6-phosphofructokinase	0.0025	0.0032	0.0032
Brugia malayi	RNA, U transporter 1	0.008	0.0409	0.0409
Trichomonas vaginalis	esterase, putative	0.0057	0.025	0.2296
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0015	0.0015
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.1472	1	1
Echinococcus multilocularis	geminin	0.0477	0.3147	0.3147
Toxoplasma gondii	isocitrate dehydrogenase	0.1472	1	1
Echinococcus multilocularis	6 phosphofructokinase	0.0094	0.0503	0.0503
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1089	0.1089
Brugia malayi	beta-lactamase family protein	0.0057	0.025	0.025
Plasmodium vivax	6-phosphofructokinase, putative	0.0025	0.0032	0.0032
Trichomonas vaginalis	phosphofructokinase, putative	0.0094	0.0503	0.4617
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.1472	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0057	0.025	0.025
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0051	0.0051
Brugia malayi	latrophilin 2 splice variant baaae	0.0029	0.0059	0.0059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0165	0.0165
Toxoplasma gondii	ABC1 family protein	0.0057	0.025	0.025
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0179	0.1089	1
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.0179	0.1089	0.1089
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1472	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0057	0.025	0.025
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.1472	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0165	0.0165
Schistosoma mansoni	hypothetical protein	0.0477	0.3147	0.3147
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.0179	0.1089	0.1089
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0025	0.0032	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0059	0.0059
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.0179	0.1089	0.1089
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0165	0.0165
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0057	0.025	0.025
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0057	0.025	0.025
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0025	0.0032	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0057	0.025	0.025
Trichomonas vaginalis	phosphofructokinase, putative	0.0094	0.0503	0.4617
Leishmania major	ATP-dependent phosphofructokinase	0.0094	0.0503	0.0503
Trichomonas vaginalis	phosphofructokinase, putative	0.0094	0.0503	0.4617
Plasmodium falciparum	importin beta, putative	0.0028	0.0051	0.0051
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0051	0.0051
Schistosoma mansoni	hypothetical protein	0.0029	0.0059	0.0059
Echinococcus granulosus	snurportin 1	0.0301	0.1931	0.1931
Brugia malayi	beta-lactamase	0.0057	0.025	0.025
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0094	0.0503	0.3013
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0362	0.0115
Brugia malayi	Probable isocitrate dehydrogenase	0.0179	0.1089	0.1089
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.025	0.025
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.1472	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0015	0.0134
Schistosoma mansoni	isocitrate dehydrogenase	0.0179	0.1089	0.1089
Loa Loa (eye worm)	6-phosphofructokinase	0.0094	0.0503	0.0503
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1472	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0043	0.0153	0.0153
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0025	0.0032	0.0289
Echinococcus granulosus	6 phosphofructokinase	0.0094	0.0503	0.0503
Trichomonas vaginalis	D-aminoacylase, putative	0.0057	0.025	0.2296
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.025
Schistosoma mansoni	6-phosphofructokinase	0.0094	0.0503	0.0503
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0362	0.0362
Trypanosoma brucei	hypothetical protein, conserved	0.0057	0.025	0.025
Echinococcus multilocularis	isocitrate dehydrogenase	0.1472	1	1
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.0179	0.1089	0.1089
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1472	1	1
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0179	0.1089	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.1472	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0165	0.0165
Schistosoma mansoni	unc-13 (munc13)	0.0179	0.1089	0.1089
Trichomonas vaginalis	phosphofructokinase, putative	0.0025	0.0032	0.0289
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0043	0.0153	0.0153
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0043	0.0153	0.0153
Trichomonas vaginalis	phosphofructokinase, putative	0.0025	0.0032	0.0289
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0165	0.0165
Trypanosoma brucei	RNA helicase, putative	0.03	0.1925	0.1925
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0094	0.0503	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0362	0.1339
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0153	0.0153
Entamoeba histolytica	phosphofructokinase, putative	0.0094	0.0503	0.4617
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0015	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0057	0.025	0.025
Brugia malayi	beta-lactamase family protein	0.0057	0.025	0.025
Trichomonas vaginalis	D-aminoacylase, putative	0.0057	0.025	0.2296
Mycobacterium leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.0179	0.1089	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0025	0.0032	0.0289
Plasmodium vivax	6-phosphofructokinase, putative	0.0025	0.0032	0.0032
Echinococcus multilocularis	snurportin 1	0.0301	0.1931	0.1931
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1472	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0057	0.025	0.2296
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0025	0.0032	0.0289
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0094	0.0503	0.0503
Schistosoma mansoni	hypothetical protein	0.0301	0.1931	0.1931
Trichomonas vaginalis	phosphofructokinase, putative	0.0025	0.0032	0.0289
Echinococcus granulosus	geminin	0.0477	0.3147	0.3147
Mycobacterium tuberculosis	Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH)	0.0179	0.1089	0.086
Onchocerca volvulus	Bile acid receptor homolog	0.0145	0.0857	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0362	0.1339
Brugia malayi	6-phosphofructokinase	0.0094	0.0503	0.0503
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1472	1	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0051	0.0051
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.1472	1	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0025	0.0032	0.0032

Activities

Activity type	Activity value	Assay description	Source	Reference
AbsAC40_uM (functional)	> 26 uM	PUBCHEM_BIOASSAY: Sustained Induction of HSF-1 Measured in Cell-Based System Using Plate Reader - 2038-07_Activator_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
EC50 (functional)	> 260 uM	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224]	ChEMBL.	No reference
Potency (functional)	= 4.4668 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)	= 28.1838 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)	35.4813 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)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1989439

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1605329