TDR Targets

Basic information

Technical information

TDR Targets ID: 1413509
Name: N-naphthalen-1-yl-2-pyridin-4-ylquinazolin-4- amine
MW: 348.4 | Formula: C23H16N4
H donors: 1 H acceptors: 3 LogP: 5.26 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: n1ccc(cc1)c1nc(Nc2cccc3c2cccc3)c2c(n1)cccc2
InChi: 1S/C23H16N4/c1-2-8-18-16(6-1)7-5-11-20(18)26-23-19-9-3-4-10-21(19)25-22(27-23)17-12-14-24-15-13-17/h1-15H,(H,25,26,27)
InChiKey: ZDRLMGROXGXIIM-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-(1-naphthyl)-2-(4-pyridyl)quinazolin-4-amine
N-(1-naphthyl)-2-(4-pyridyl)-4-quinazolinamine
1-naphthyl-[2-(4-pyridyl)quinazolin-4-yl]amine
N-naphthalen-1-yl-2-pyridin-4-yl-quinazolin-4-amine
ZINC00509461
STOCK2S-27739
MLS000767856
Naphthalen-1-yl-(2-pyridin-4-yl-quinazolin-4-yl)-amine
SMR000430185
ZINC01301438

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0074	0.0365	0.0274
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0285	0.1149
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0074	0.0365	0.1473
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.0365	0.0274
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2478	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0201	0.0201
Echinococcus granulosus	chromobox protein 1	0.0084	0.0458	0.0458
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.2478	0.2478
Onchocerca volvulus		0.0043	0.0097	0.0058
Entamoeba histolytica	hypothetical protein	0.0043	0.0097	0.5
Trichomonas vaginalis	esterase, putative	0.0043	0.0097	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2245	0.2245
Mycobacterium ulcerans	lipase LipD	0.0043	0.0097	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2478	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0097	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Loa Loa (eye worm)	hypothetical protein	0.006	0.0245	0.0245
Brugia malayi	hypothetical protein	0.0043	0.0097	0.0097
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Brugia malayi	beta-lactamase family protein	0.0043	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0097	0.0097
Brugia malayi	chromobox protein homolog 3	0.0047	0.013	0.013
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.1527	0.1493
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0097	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0008	0.0031
Schistosoma mansoni	vesicular acetylcholine transporter	0.116	1	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Echinococcus granulosus	vesicular acetylcholine transporter	0.116	1	1
Brugia malayi	follicle stimulating hormone receptor	0.0249	0.1925	0.1925
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0285	0.1149
Toxoplasma gondii	hypothetical protein	0.0065	0.0285	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.8399	0.8399
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0074	0.0365	0.0274
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Onchocerca volvulus		0.0043	0.0097	0.0058
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Brugia malayi	beta-lactamase	0.0043	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0097	0.0097
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0097	0.0097
Schistosoma mansoni	hypothetical protein	0.0041	0.0076	0.0076
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.0365	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.1147	0.9887	0.9887
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0097	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0365	0.1473
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0201	0.0201
Leishmania major	C-8 sterol isomerase-like protein	0.1147	0.9887	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0097	0.0392
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0245	0.0245
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2478	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2478	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0249	0.1925	0.1925
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0097	0.0097
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2245	0.2245
Entamoeba histolytica	hypothetical protein	0.0043	0.0097	0.5
Brugia malayi	Heterochromatin protein 1	0.0084	0.0458	0.0458
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0228	0.0228
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0458	0.0458
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2245	0.2245
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0201	0.0201
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0201	0.0201
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0097	0.0392
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1147	0.9887	1
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0458	0.1847
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.0458	0.0458
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0162	0.0652
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2176	1
Schistosoma mansoni	chromobox protein	0.0084	0.0458	0.0458
Schistosoma mansoni	hypothetical protein	0.0043	0.0097	0.0097
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Echinococcus granulosus	chromobox protein 1	0.0084	0.0458	0.0458
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0008	0.0031
Brugia malayi	hypothetical protein	0.0286	0.2245	0.2245
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Loa Loa (eye worm)	hypothetical protein	0.0586	0.4912	0.4912
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0162	0.0123
Schistosoma mansoni	chromobox protein	0.0084	0.0458	0.0458
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0458	0.1847
Onchocerca volvulus		0.0043	0.0097	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0285	0.1149
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.116	1	1
Echinococcus multilocularis	vesicular acetylcholine transporter	0.116	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0097	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1147	0.9887	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0097	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.2478	0.2478
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0097	0.5
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.116	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0201	0.0201
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0097	0.0097
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0074	0.0365	0.0365
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0097	0.0097
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0074	0.0365	0.0365
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2478	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0201	0.0201
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0097	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0076	0.0076
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0074	0.0365	0.0365
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0097	0.0392
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0201	0.0201
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0097	0.0097
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0228	0.0228
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.005	0.0157	0.0061
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0458	0.0458
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.013	0.0524
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0097	0.0097
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0201	0.0201
Schistosoma mansoni	hypothetical protein	0.0058	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0097	0.0097
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1527	0.6161
Brugia malayi	beta-lactamase family protein	0.0043	0.0097	0.0097
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.0365	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0097	0.0097
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.1625	0.6555
Onchocerca volvulus		0.0058	0.0228	0.0189
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.1147	0.9887	0.9887
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0097	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0076	0.0076
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0097	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.005	0.0157	0.0633
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.1625	0.6555
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0201	0.0201
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0365	0.1473
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.013	0.0091
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0097	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0097	0.0097
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.005	0.0157	0.0633
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0245	0.0245
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Entamoeba histolytica	hypothetical protein	0.0043	0.0097	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2478	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0097	0.0097
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0245	0.0245
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.013	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0047	0.013	0.013
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0097	0.0097
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0097	0.0392
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0097	0.0097
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0162	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0039	0.0039
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0365	0.1473

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 195 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	1.0418 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)	5.0119 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.8584 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)	6.3096 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)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	18.3564 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)	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)	25.9185 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)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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: CHEMBL1545274

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1413509