TDR Targets

Basic information

Technical information

TDR Targets ID: 1473002
Name: 4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxoquinaz olin-3-yl]methyl]-N-(3-methoxypropyl)benzamid e
MW: 482.53 | Formula: C28H26N4O4
H donors: 1 H acceptors: 4 LogP: 3 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COCCCNC(=O)c1ccc(cc1)Cn1c(=O)c2ccccc2n(c1=O)Cc1ccccc1C#N
InChi: 1S/C28H26N4O4/c1-36-16-6-15-30-26(33)21-13-11-20(12-14-21)18-32-27(34)24-9-4-5-10-25(24)31(28(32)35)19-23-8-3-2-7-22(23)17-29/h2-5,7-14H,6,15-16,18-19H2,1H3,(H,30,33)
InChiKey: ZMJJDDGVZPXMLJ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxo-quinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
4-[[1-[(2-cyanophenyl)methyl]-2,4-dioxo-3-quinazolinyl]methyl]-N-(3-methoxypropyl)benzamide
4-[[1-(2-cyanobenzyl)-2,4-diketo-quinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide
MLS000520103
SMR000130517

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
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
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	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
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	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
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	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
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	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 japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
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
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
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	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
Candida albicans	aldehyde dehydrogenase	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
Brugia malayi	SWIRM domain containing protein	0.0043	0.0506	0.0947
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus multilocularis	tubulin alpha 1C chain	0.0018	0.0093	0.0148
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0325	0.5181	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Onchocerca volvulus		0.0325	0.5181	1
Schistosoma mansoni	alpha tubulin	0.0018	0.0093	0.0148
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	alpha-tubulin	0.0018	0.0093	0.018
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Entamoeba histolytica	aldose reductase, putative	0.0325	0.5181	1
Mycobacterium tuberculosis	Conserved protein	0.0094	0.1349	0.0961
Echinococcus granulosus	tubulin alpha 3 chain	0.0018	0.0093	0.0148
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0018	0.0093	0.0148
Onchocerca volvulus		0.0325	0.5181	1
Echinococcus multilocularis	tubulin subunit TubB	0.0018	0.0093	0.0148
Plasmodium falciparum	aldehyde reductase, putative	0.0094	0.1349	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0976
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0043	0.0506	0.0947
Loa Loa (eye worm)	TYRA-2 protein	0.0014	0.0017	0.0033
Echinococcus multilocularis	serotonin receptor	0.0156	0.2378	0.4571
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Brugia malayi	alpha-tubulin	0.0018	0.0093	0.0148
Echinococcus granulosus	peroxisome assembly protein 26	0.0018	0.0093	0.0148
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0325	0.5181	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0325	0.5181	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0043	0.0506	0.3284
Plasmodium falciparum	protoporphyrinogen oxidase	0.0043	0.0506	0.3284
Trichomonas vaginalis	tubulin beta chain, putative	0.0018	0.0093	0.018
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0094	0.1349	0.2468
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0976
Echinococcus granulosus	tubulin subunit TubB	0.0018	0.0093	0.0148
Loa Loa (eye worm)	neuropeptide F receptor	0.0014	0.0017	0.0033
Leishmania major	UDP-galactopyranose mutase	0.0043	0.0506	0.0811
Echinococcus multilocularis	aldehyde reductase	0.0231	0.3618	0.6974
Trichomonas vaginalis	aldo-keto reductase, putative	0.0094	0.1349	0.2604
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0043	0.0506	0.0811
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Echinococcus multilocularis	hypothetical protein	0.0018	0.0093	0.0148
Onchocerca volvulus		0.0325	0.5181	1
Brugia malayi	tubulin alpha chain - mouse	0.0018	0.0093	0.0148
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0043	0.0506	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trypanosoma cruzi	aldo-keto reductase	0.0325	0.5181	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1005	0.0526
Echinococcus granulosus	aldo keto reductase	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Onchocerca volvulus		0.0094	0.1349	0.258
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Trypanosoma brucei	prostaglandin f synthase	0.0325	0.5181	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0014	0.0017	0.0033
Toxoplasma gondii	aldose reductase, putative	0.0325	0.5181	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0018	0.0093	0.018
Trichomonas vaginalis	aldo/keto reductase, putative	0.0325	0.5181	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0014	0.0022	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0156	0.2378	0.4589
Echinococcus multilocularis	tubulin alpha 3 chain	0.0018	0.0093	0.0148
Brugia malayi	tubulin alpha-2 chain	0.0018	0.0093	0.0148
Brugia malayi	Tubulin alpha chain	0.0018	0.0093	0.0148
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0018	0.0093	0.0148
Echinococcus multilocularis	tubulin alpha chain	0.0018	0.0093	0.0148
Mycobacterium tuberculosis	Probable oxidoreductase	0.0325	0.5181	0.5328
Echinococcus multilocularis	tubulin alpha 3 chain	0.0018	0.0093	0.0148
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1005	0.0569
Loa Loa (eye worm)	oxidoreductase	0.0325	0.5181	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0018	0.0093	0.0148
Mycobacterium ulcerans	hypothetical protein	0.0094	0.1349	0.0888
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Echinococcus granulosus	aldo keto reductase	0.0325	0.5181	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1005	0.1913
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0094	0.1349	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Giardia lamblia	Aldose reductase	0.0325	0.5181	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1005	0.0526
Schistosoma mansoni	potassium channel beta	0.0094	0.1349	0.258
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1005	0.1913
Echinococcus multilocularis	aldo keto reductase	0.0325	0.5181	1
Onchocerca volvulus		0.0325	0.5181	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0014	0.0017	0.0033
Echinococcus multilocularis	aldo keto reductase	0.0325	0.5181	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0094	0.1349	0.2604
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0156	0.2378	0.4571
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0094	0.1349	0.258
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0043	0.0506	0.3284
Onchocerca volvulus		0.0043	0.0506	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0043	0.0506	0.0947
Echinococcus granulosus	tubulin alpha chain	0.0018	0.0093	0.0148
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Giardia lamblia	Aldose reductase	0.0325	0.5181	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0043	0.0506	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0325	0.5181	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	tubulin beta chain, putative	0.0018	0.0093	0.018
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0976
Trypanosoma cruzi	aldo/keto reductase, putative	0.0325	0.5181	1
Schistosoma mansoni	tubulin subunit alpha	0.0018	0.0093	0.0148
Schistosoma mansoni	pol-related	0.0325	0.5181	1
Echinococcus multilocularis	tubulin alpha chain	0.0018	0.0093	0.0148
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0043	0.0506	0.3284
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0094	0.1349	0.2468
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0976
Loa Loa (eye worm)	oxidoreductase	0.0325	0.5181	1
Loa Loa (eye worm)	tubulin alpha 2	0.0014	0.0022	0.0042
Loa Loa (eye worm)	G-protein coupled receptor	0.0014	0.0017	0.0033
Schistosoma mansoni	alpha tubulin	0.0018	0.0093	0.0148
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0615	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0014	0.0022	0.0042
Trypanosoma brucei	aldo/keto reductase, putative	0.0094	0.1349	0.2468
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Echinococcus granulosus	alpha tubulin	0.0018	0.0093	0.0148
Brugia malayi	NADH-dependent xylose reductase	0.0094	0.1349	0.258
Trypanosoma cruzi	aldo/keto reductase, putative	0.0094	0.1349	0.2468
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1005	0.0526
Echinococcus granulosus	aldo keto reductase	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus granulosus	tubulin alpha chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0093	0.018
Mycobacterium leprae	Possible oxidoreductase	0.0094	0.1349	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Onchocerca volvulus		0.0325	0.5181	1
Loa Loa (eye worm)	oxidoreductase	0.0325	0.5181	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0043	0.0506	0.0947
Brugia malayi	Tubulin alpha-2 chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus multilocularis	tubulin alpha chain	0.0018	0.0093	0.0148
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Entamoeba histolytica	aldose reductase, putative	0.0325	0.5181	1
Brugia malayi	Tubulin alpha-2 chain	0.0018	0.0093	0.0148
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0094	0.1349	0.258
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0018	0.0093	0.018
Echinococcus multilocularis		0.0043	0.0506	0.0947
Schistosoma mansoni	aldo-keto reductase	0.0325	0.5181	1
Plasmodium vivax	aldehyde reductase, putative	0.0094	0.1349	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0094	0.1349	0.258
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0325	0.5181	1
Echinococcus multilocularis	aldo keto reductase	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Echinococcus granulosus	tubulin alpha chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	tubulin alpha 2	0.0014	0.0022	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0022	0.0042
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0043	0.0506	0.0811
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0014	0.0017	0.0033
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0325	0.5181	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0325	0.5181	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0018	0.0093	0.018
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0043	0.0506	0.3284
Loa Loa (eye worm)	tubulin alpha chain	0.0018	0.0093	0.018
Mycobacterium ulcerans	oxidoreductase	0.0325	0.5181	0.4924
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	oxidoreductase	0.0325	0.5181	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0018	0.0093	0.0148
Echinococcus granulosus	biogenic amine 5HT receptor	0.0156	0.2378	0.4571
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0571	0.9281	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0018	0.0093	0.0148
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.1005	0.1792
Echinococcus multilocularis	aldo keto reductase	0.0325	0.5181	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0325	0.5181	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0325	0.5181	1
Echinococcus multilocularis	tubulin alpha chain	0.0018	0.0093	0.0148
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0043	0.0506	0.0947
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0018	0.0093	0.018
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0094	0.1349	0.2604
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1005	0.1913
Echinococcus granulosus	Tubulin alpha 1 chain	0.0018	0.0093	0.0148
Trichomonas vaginalis	aldo-keto reductase, putative	0.0094	0.1349	0.2604
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0014	0.0017	0.0033
Mycobacterium leprae	Conserved hypothetical protein	0.0231	0.3618	0.6658
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0094	0.1349	0.2468
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0018	0.0093	0.018
Echinococcus multilocularis	serotonin receptor	0.0156	0.2378	0.4571
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0043	0.0506	0.0811
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0043	0.0506	0.0811
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0976
Echinococcus multilocularis	peroxisome assembly protein 26	0.0018	0.0093	0.0148
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0094	0.1349	0.258
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Leishmania major	aldo-keto reductase-like protein	0.0325	0.5181	1
Echinococcus granulosus	hypothetical protein	0.0325	0.5181	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0325	0.5181	1
Schistosoma mansoni	tubulin subunit alpha	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	aldo/keto reductase, putative	0.0325	0.5181	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0506	0.3284
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0014	0.0017	0.0033
Leishmania major	prostaglandin f synthase, putative	0.0325	0.5181	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0094	0.1349	0.2604
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0018	0.0093	0.0148
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Loa Loa (eye worm)	oxidoreductase	0.0325	0.5181	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Schistosoma mansoni	aldo-keto reductase	0.0325	0.5181	1
Schistosoma mansoni	amine oxidase	0.0043	0.0506	0.0947
Echinococcus granulosus	tubulin alpha chain	0.0018	0.0093	0.0148
Schistosoma mansoni	tubulin subunit alpha	0.0018	0.0093	0.0148
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1005	0.1792
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0506	0.3284
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	tubulin alpha chain	0.0018	0.0093	0.018
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Entamoeba histolytica	aldose reductase, putative	0.0325	0.5181	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0018	0.0093	0.018
Loa Loa (eye worm)	alpha-tubulin	0.0018	0.0093	0.018
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0094	0.1349	0.2468
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0018	0.0093	0.018
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0325	0.5181	1
Echinococcus granulosus	aldehyde reductase	0.0231	0.3618	0.6974
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0018	0.0093	0.018
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Brugia malayi	hypothetical protein	0.0043	0.0506	0.0947
Toxoplasma gondii	aldo-keto reductase	0.0094	0.1349	0.2468
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Plasmodium falciparum	aldo-keto reductase, putative	0.0094	0.1349	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0014	0.0017	0.0033
Trichomonas vaginalis	aldo-keto reductase, putative	0.0325	0.5181	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1005	0.1913
Loa Loa (eye worm)	melatonin receptor type 1A	0.0014	0.0017	0.0033
Schistosoma mansoni	amine oxidase	0.0043	0.0506	0.0947
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0325	0.5181	1
Echinococcus multilocularis	tubulin alpha chain	0.0018	0.0093	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Schistosoma mansoni	alpha tubulin	0.0018	0.0093	0.0148
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0094	0.1349	0.2468
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0043	0.0506	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Echinococcus granulosus	tubulin alpha chain	0.0018	0.0093	0.0148
Onchocerca volvulus		0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0506	0.0976
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0043	0.0506	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.1349	0.2604
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0033
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0325	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.2378	0.4589

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 5.0119 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)	22.3872 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	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)	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: 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. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	89.1251 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

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: CHEMBL1589317

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1473002