TDR Targets

Basic information

Technical information

TDR Targets ID: 1269298
Name: N-butyl-4-[1-[2-[2-(1-cyclohexenyl)ethylamino ]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butana mide
MW: 468.588 | Formula: C26H36N4O4
H donors: 2 H acceptors: 4 LogP: 3.06 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNC(=O)CCCn1c(=O)c2ccccc2n(c1=O)CC(=O)NCCC1=CCCCC1
InChi: 1S/C26H36N4O4/c1-2-3-16-27-23(31)14-9-18-29-25(33)21-12-7-8-13-22(21)30(26(29)34)19-24(32)28-17-15-20-10-5-4-6-11-20/h7-8,10,12-13H,2-6,9,11,14-19H2,1H3,(H,27,31)(H,28,32)
InChiKey: XDXZCXMPEHIXNU-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-butyl-4-[1-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]butanamide
N-butyl-4-[1-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-2,4-dioxo-3-quinazolinyl]butanamide
N-butyl-4-[1-[2-[2-(1-cyclohexenyl)ethylamino]-2-keto-ethyl]-2,4-diketo-quinazolin-3-yl]butyramide
MLS000090665
N-butyl-4-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
SMR000025269

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	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	aldehyde dehydrogenase	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
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
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Mycobacterium ulcerans	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
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania infantum	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
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	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
Candida albicans	Mitochondrial 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
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
Mycobacterium ulcerans	aldehyde dehydrogenase	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
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	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
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0297	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0165	0.3657	0.5495
Onchocerca volvulus		0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trypanosoma cruzi	DNA polymerase I alpha catalytic subunit, putative	0.0018	0.0194	0.1916
Echinococcus multilocularis	dna polymerase epsilon catalytic subunit a	0.0018	0.0194	0.0662
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0097	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Onchocerca volvulus		0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0012	0.0054	0.0165
Mycobacterium ulcerans	sugar transporter	0.0014	0.0097	0.0565
Echinococcus granulosus	DNA polymerase zeta catalytic subunit	0.0018	0.0194	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0497	0.1524
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0097	0.5
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Leishmania major	glucose transporter, lmgt2	0.0032	0.0506	0.2929
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Leishmania major	DNA polymerase I alpha catalytic subunit, putative	0.0018	0.0194	0.0692
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0497	0.0497
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Onchocerca volvulus		0.0014	0.0097	0.0136
Plasmodium falciparum	hexose transporter	0.0102	0.2171	0.2171
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0097	0.0298
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0097	0.0565
Schistosoma mansoni	DNA polymerase epsilon catalytic subunit	0.0018	0.0194	0.0662
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0433	1	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0014	0.0097	0.0205
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0097	0.0205
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Schistosoma mansoni	glucose transport protein	0.0102	0.2171	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0297	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0497	0.0497
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	G-protein coupled receptor	0.0012	0.0054	0.0165
Trichomonas vaginalis	myo-inositol transporter, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Onchocerca volvulus		0.0014	0.0097	0.0136
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Brugia malayi	hypothetical protein	0.0148	0.326	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0297	0.1147
Loa Loa (eye worm)	neuropeptide F receptor	0.0012	0.0054	0.0165
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0014	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0167	0.1383
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0497	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0506	0.8107
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0215	0.0846
Plasmodium vivax	DNA polymerase epsilon, catalytic subunit a, putative	0.0018	0.0194	0.0098
Schistosoma mansoni	DNA polymerase zeta catalytic subunit	0.0018	0.0194	0.0662
Echinococcus granulosus	solute carrier family 22	0.0014	0.0097	0.0205
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0602	0.3613
Brugia malayi	DNA polymerase delta catalytic subunit	0.0018	0.0194	0.0437
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0014	0.0097	0.0097
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0014	0.0097	0.0205
Toxoplasma gondii	DNA polymerase family B protein	0.0018	0.0194	0.0149
Plasmodium falciparum	DNA polymerase delta catalytic subunit	0.0018	0.0194	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0346	0.1062
Leishmania major	glucose transporter, lmgt3	0.0032	0.0506	0.2929
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0497	0.2289
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0097	0.0298
Trypanosoma brucei	DNA polymerase zeta catalytic subunit, putative	0.0018	0.0194	0.1916
Schistosoma mansoni	sugar transporter	0.0014	0.0097	0.0205
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0482	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0482	0.9506
Entamoeba histolytica	protein kinase, putative	0.0031	0.0497	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Brugia malayi	Cam kinase protein 1	0.0031	0.0497	0.1382
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0297	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Loa Loa (eye worm)	sugar transporter	0.0102	0.2171	0.6659
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0018	0.0194	0.0662
Schistosoma mansoni	protein kinase	0.0031	0.0497	0.2093
Leishmania major	DNA polymerase epsilon catalytic subunit, putative	0.0018	0.0194	0.0692
Loa Loa (eye worm)	DNA-directed DNA polymerase III	0.0018	0.0194	0.0595
Schistosoma mansoni	protein kinase	0.0031	0.0497	0.2093
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Brugia malayi	Sugar transporter family protein	0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Plasmodium falciparum	protein kinase 7	0.0288	0.6576	0.6576
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.1494	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0297	0.1147
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Plasmodium vivax	DNA polymerase delta catalytic subunit, putative	0.0018	0.0194	0.0098
Schistosoma mansoni	DNA polymerase delta catalytic subunit	0.0018	0.0194	0.0662
Brugia malayi	hypothetical protein	0.0014	0.0097	0.0136
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0506	0.2929
Loa Loa (eye worm)	TYRA-2 protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.023	0.106
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.2171	1
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0097	0.0565
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0297	0.1911
Giardia lamblia	DNA polymerase delta, catalytic subunit	0.0018	0.0194	0.2513
Schistosoma mansoni	glucose transporter	0.0014	0.0097	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0451	0.1877
Brugia malayi	DNA polymerase family B containing protein	0.0018	0.0194	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus multilocularis	DNA polymerase delta catalytic subunit	0.0018	0.0194	0.0662
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Onchocerca volvulus	Huntingtin homolog	0.0148	0.326	1
Trypanosoma brucei	DNA polymerase epsilon catalytic subunit, putative	0.0018	0.0194	0.1916
Leishmania major	glucose transporter, lmgt1	0.0032	0.0506	0.2929
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0165	0.3657	0.3657
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Echinococcus multilocularis	General substrate transporter	0.0088	0.1832	0.8397
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0482	0.1335
Toxoplasma gondii	DNA polymerase	0.0018	0.0194	0.0149
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0097	0.0136
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1494	0.2156
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Echinococcus granulosus	solute carrier family 22	0.0014	0.0097	0.0205
Entamoeba histolytica	hypothetical protein	0.0023	0.0297	0.3388
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1494	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0297	0.5182
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0482	0.2022
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1494	1
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	DNA polymerase II, putative	0.0018	0.0194	0.0893
Onchocerca volvulus	Putative transporter	0.0014	0.0097	0.0136
Trypanosoma cruzi	DNA polymerase epsilon catalytic subunit, putative	0.0018	0.0194	0.1916
Loa Loa (eye worm)	neuropeptide F receptor	0.0012	0.0054	0.0165
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0165	0.3657	0.3595
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0506	0.2332
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1494	0.6801
Schistosoma mansoni	protein kinase	0.0031	0.0497	0.2093
Onchocerca volvulus		0.0014	0.0097	0.0136
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0297	0.1427
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0506	0.2332
Toxoplasma gondii	DNA polymerase (pol2) superfamily protein	0.0018	0.0194	0.0149
Schistosoma mansoni	sugar transporter	0.0014	0.0097	0.0205
Brugia malayi	Sugar transporter family protein	0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0097	0.0565
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Brugia malayi	major facilitator superfamily protein	0.0014	0.0097	0.0136
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0012	0.0054	0.0165
Brugia malayi	DNA polymerase alpha catalytic subunit	0.0018	0.0194	0.0437
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Giardia lamblia	DNA polymerase epsilon, catalytic subunit	0.0018	0.0194	0.2513
Brugia malayi	hypothetical protein	0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Echinococcus granulosus	solute carrier family 22	0.0014	0.0097	0.0205
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0297	0.1911
Echinococcus granulosus	dna polymerase epsilon catalytic subunit a	0.0018	0.0194	0.0662
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0097	0.0136
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0506	0.8107
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0018	0.0194	0.0893
Trypanosoma cruzi	DNA polymerase epsilon catalytic subunit, putative	0.0018	0.0194	0.1916
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0297	0.1147
Onchocerca volvulus	DNA polymerase epsilon catalytic subunit A homolog	0.0018	0.0194	0.0437
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0497	0.0404
Onchocerca volvulus		0.0014	0.0097	0.0136
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0602	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.2171	0.3201
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0018	0.0194	0.0893
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0506	0.2332
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0497	0.0404
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0506	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0097	0.0448
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0602	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0497	0.0617
Leishmania major	DNA polymerase delta catalytic subunit, putative	0.0018	0.0194	0.0692
Onchocerca volvulus		0.0014	0.0097	0.0136
Brugia malayi	hypothetical protein	0.0014	0.0097	0.0136
Trichomonas vaginalis	glucose transporter, putative	0.0014	0.0097	0.0448
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0497	0.0617
Trypanosoma cruzi	hexose transporter	0.0032	0.0506	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0055	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0297	0.091
Schistosoma mansoni	sugar transporter	0.0014	0.0097	0.0205
Schistosoma mansoni	sugar transporter	0.0014	0.0097	0.0205
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0451	0.1877
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1494	0.6801
Onchocerca volvulus		0.0014	0.0097	0.0136
Trichomonas vaginalis	sugar transport protein, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0506	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0012	0.0054	0.0165
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0018	0.0194	0.0662
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0018	0.0194	0.0437
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0602	0.0779
Onchocerca volvulus		0.0014	0.0097	0.0136
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0097	0.0205
Leishmania major	protein kinase, putative	0.0031	0.0497	0.2861
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0097	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0482	0.1478
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Plasmodium vivax	DNA polymerase alpha, putative	0.0018	0.0194	0.0098
Brugia malayi	DNA polymerase family B, exonuclease domain containing protein	0.0018	0.0194	0.0437
Onchocerca volvulus		0.0014	0.0097	0.0136
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0215	0.0846
Loa Loa (eye worm)	sugar transporter	0.0014	0.0097	0.0298
Onchocerca volvulus		0.0014	0.0097	0.0136
Trypanosoma cruzi	DNA polymerase delta catalytic subunit, putative	0.0018	0.0194	0.1916
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Entamoeba histolytica	protein kinase, putative	0.0031	0.0497	1
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0482	0.2022
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0297	0.0297
Trypanosoma brucei	DNA polymerase alpha catalytic subunit	0.0018	0.0194	0.1916
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0482	0.2022
Echinococcus granulosus	synaptic vesicle 2 protein	0.0014	0.0097	0.0205
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0497	0.0617
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0297	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0297	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0497	0.7919
Onchocerca volvulus		0.0014	0.0097	0.0136
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0506	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Schistosoma mansoni	glucose transport protein	0.0102	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus granulosus	solute carrier family 22	0.0014	0.0097	0.0205
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0506	0.2332
Onchocerca volvulus	DNA polymerase homolog	0.0018	0.0194	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Trichomonas vaginalis	DNA polymerase delta catalytic subunit, putative	0.0018	0.0194	0.0893
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0097	0.0205
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0497	0.0404
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2171	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0297	0.3046
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0297	0.1366
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0506	0.2332
Onchocerca volvulus		0.0014	0.0097	0.0136
Plasmodium vivax	DNA polymerase zeta catalytic subunit, putative	0.0018	0.0194	0.0098
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0506	0.8107
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0482	0.222
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Echinococcus multilocularis	DNA polymerase zeta catalytic subunit	0.0018	0.0194	0.0662
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2171	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0497	0.1382
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0097	0.0448
Onchocerca volvulus	DNA polymerase delta catalytic subunit homolog	0.0018	0.0194	0.0437
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0297	0.395
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1494	0.6801
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Brugia malayi	major facilitator superfamily protein	0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	G-protein coupled receptor	0.0012	0.0054	0.0165
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1494	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0097	0.0448
Brugia malayi	Sugar transporter family protein	0.0102	0.2171	0.6603
Onchocerca volvulus	Huntingtin homolog	0.0148	0.326	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1494	1
Trichomonas vaginalis	DNA polymerase zeta catalytic subunit, putative	0.0018	0.0194	0.0893
Onchocerca volvulus		0.0014	0.0097	0.0136
Onchocerca volvulus		0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0148	0.326	1
Toxoplasma gondii	protein kinase, putative	0.0288	0.6576	1
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0602	0.0602
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0602	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0497	0.0497
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0497	0.1524
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0497	0.0497
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0497	0.2093
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0497	0.1524
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0506	0.8107
Echinococcus granulosus	General substrate transporter	0.0088	0.1832	0.8397
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Onchocerca volvulus		0.0014	0.0097	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1494	0.6801
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0297	0.395
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0014	0.0097	0.0205
Echinococcus granulosus	DNA polymerase delta catalytic subunit	0.0018	0.0194	0.0662
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0506	0.8107
Loa Loa (eye worm)	melatonin receptor type 1A	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Schistosoma mansoni	glucose transport protein	0.0102	0.2171	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0497	0.2093
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0482	0.2022
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Schistosoma mansoni	hypothetical protein	0.0102	0.2171	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0097	0.0298
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0097	0.0448
Plasmodium vivax	hexose transporter	0.0102	0.2171	0.2094
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0602	0.3613
Trypanosoma brucei	DNA polymerase delta catalytic subunit, putative	0.0018	0.0194	0.1916
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0482	0.1335
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0497	0.2093
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0097	0.0136
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0194	0.0595
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0018	0.0194	0.0662
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0097	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0148	0.326	1
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0602	0.051
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0482	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0054	0.0165
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0097	0.0448

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.122 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	= 15.8489 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)	26.6795 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1377581

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1269298