TDR Targets

Basic information

Technical information

TDR Targets ID: 1312193
Name: 8-[azepan-1-yl-[1-(phenylmethyl)tetrazol-5-yl ]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]qu inolin-7-one
MW: 472.539 | Formula: C26H28N6O3
H donors: 1 H acceptors: 5 LogP: 3.89 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc2cc3OCCOc3cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCCCC1
InChi: 1S/C26H28N6O3/c33-26-20(14-19-15-22-23(16-21(19)27-26)35-13-12-34-22)24(31-10-6-1-2-7-11-31)25-28-29-30-32(25)17-18-8-4-3-5-9-18/h3-5,8-9,14-16,24H,1-2,6-7,10-13,17H2,(H,27,33)
InChiKey: LLYNHRNCFLHUEF-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

8-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
8-[azepan-1-yl-[1-(benzyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
8-[azepan-1-yl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
MLS000523332
SMR000123310
Oprea1_851606
ASN 04190732
8-[Azepan-1-yl-(1-benzyl-1H-tetrazol-5-yl)-methyl]-2,3-dihydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Onchocerca volvulus		0.0326	0.2809	0.2661
Onchocerca volvulus		0.1125	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0268	0.0268
Trichomonas vaginalis	aldo-keto reductase, putative	0.0326	0.2809	0.2611
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0268	0.0119
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0326	0.2809	0.277
Plasmodium vivax	aldehyde reductase, putative	0.0326	0.2809	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Leishmania major	prostaglandin f synthase, putative	0.1125	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.4903	0.4903
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0202	0.0051
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0268	0.0268
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0268	0.0268
Toxoplasma gondii	ABC1 family protein	0.0043	0.0268	0.0119
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Brugia malayi	Muscleblind-like protein	0.018	0.1501	0.1455
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0268	0.0119
Schistosoma mansoni	pol-related	0.1125	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0202	0.0202
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Entamoeba histolytica	aldose reductase, putative	0.1125	1	1
Giardia lamblia	Aldose reductase	0.1125	1	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0268	0.0268
Mycobacterium leprae	Possible oxidoreductase	0.0326	0.2809	0.2611
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0326	0.2809	0.2699
Loa Loa (eye worm)	oxidoreductase	0.1125	1	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0202	0.0051
Onchocerca volvulus		0.0286	0.2452	0.2296
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0268	0.0216
Trypanosoma brucei	aldo-keto reductase, putative	0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0268	0.0119
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.4903	0.4903
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1125	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Echinococcus multilocularis	aldo keto reductase	0.1125	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0202	0.0148
Trypanosoma brucei	aldo/keto reductase, putative	0.0326	0.2809	0.2699
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0268	0.0119
Loa Loa (eye worm)	oxidoreductase	0.1125	1	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0326	0.2809	0.2699
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.1125	1	1
Loa Loa (eye worm)	oxidoreductase	0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0268	0.0119
Onchocerca volvulus		0.1125	1	1
Echinococcus multilocularis	muscleblind protein	0.018	0.1501	0.1501
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0202	0.0202
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.4903	0.4903
Brugia malayi	beta-lactamase family protein	0.0043	0.0268	0.0216
Echinococcus multilocularis	aldo keto reductase	0.1125	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0326	0.2809	0.2809
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0268	0.0119
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0202	0.0202
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0326	0.2809	0.2611
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1125	1	1
Schistosoma mansoni	aldo-keto reductase	0.1125	1	1
Brugia malayi	beta-lactamase	0.0043	0.0268	0.0216
Echinococcus multilocularis	aldo keto reductase	0.1125	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1125	1	1
Schistosoma mansoni	aldo-keto reductase	0.1125	1	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0268	0.0216
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Onchocerca volvulus		0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0268	0.0119
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0202	0.0202
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0326	0.2809	0.2699
Onchocerca volvulus		0.1125	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0326	0.2809	0.277
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.2452	0.2243
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0202	0.0202
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Toxoplasma gondii	aldose reductase, putative	0.1125	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0268	0.0441
Echinococcus granulosus	hypothetical protein	0.1125	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.1125	1	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0326	0.2809	0.2699
Echinococcus granulosus	muscleblind protein	0.018	0.1501	0.1501
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0268	0.0119
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0326	0.2809	1
Onchocerca volvulus		0.0043	0.0268	0.0068
Toxoplasma gondii	aldo-keto reductase	0.0326	0.2809	0.2699
Trypanosoma cruzi	aldo-keto reductase	0.1125	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.1125	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0202	0.0202
Trichomonas vaginalis	aldo-keto reductase, putative	0.0326	0.2809	0.2611
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1501	0.1501
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Loa Loa (eye worm)	oxidoreductase	0.1125	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1125	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.1125	1	1
Onchocerca volvulus		0.1125	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2377	0.2167
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0326	0.2809	0.2611
Mycobacterium ulcerans	oxidoreductase	0.1125	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Onchocerca volvulus		0.0043	0.0268	0.0068
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1125	1	1
Echinococcus granulosus	aldo keto reductase	0.1125	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0799	0.7068	0.6987
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1125	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Echinococcus granulosus	aldehyde reductase	0.0799	0.7068	0.7068
Echinococcus multilocularis	aldehyde reductase	0.0799	0.7068	0.7068
Giardia lamblia	Aldose reductase	0.1125	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	0.1501	0.137
Mycobacterium tuberculosis	Conserved protein	0.0326	0.2809	0.2611
Echinococcus multilocularis	aldo keto reductase	0.1125	1	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.2139	0.2096
Echinococcus granulosus	aldo keto reductase	0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0268	0.0119
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.4903	0.4903
Schistosoma mansoni	potassium channel beta	0.0326	0.2809	0.2809
Trichomonas vaginalis	aldo-keto reductase, putative	0.0326	0.2809	0.2611
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0268	0.0119
Trypanosoma cruzi	aldo/keto reductase, putative	0.0326	0.2809	0.2699
Loa Loa (eye worm)	hypothetical protein	0.018	0.1501	0.137
Plasmodium falciparum	aldehyde reductase, putative	0.0326	0.2809	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.1125	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1125	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1125	1	1
Trypanosoma brucei	prostaglandin f synthase	0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0268	0.0119
Trichomonas vaginalis	aldo/keto reductase, putative	0.1125	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0202	0.0202
Onchocerca volvulus		0.0043	0.0268	0.0068
Echinococcus granulosus	voltage gated potassium channel subunit	0.0326	0.2809	0.2809
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0326	0.2809	0.2809
Loa Loa (eye worm)	oxidoreductase	0.1125	1	1
Plasmodium vivax	SET domain protein, putative	0.0036	0.0202	0.019
Leishmania major	aldo-keto reductase-like protein	0.1125	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.019	0.019
Brugia malayi	hypothetical protein	0.003	0.0151	0.0098
Mycobacterium ulcerans	hypothetical protein	0.0326	0.2809	0.2611
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2139	0.2019
Entamoeba histolytica	aldose reductase, putative	0.1125	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1125	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0326	0.2809	1
Onchocerca volvulus		0.1125	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.1125	1	1
Entamoeba histolytica	aldose reductase, putative	0.1125	1	1
Loa Loa (eye worm)	hypothetical protein	0.1125	1	1
Echinococcus granulosus	aldo keto reductase	0.1125	1	1
Leishmania major	hypothetical protein, conserved	0.0043	0.0268	0.0119
Mycobacterium tuberculosis	Probable oxidoreductase	0.1125	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.005 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.0562 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.631 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 (binding)	10 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	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 Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 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)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 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)	25.929 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 (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	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)	29.081 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)	29.0929 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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 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)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 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)	79.4328 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)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1462671

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1312193