TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.435 | Formula: C22H22N4O3
H donors: 2 H acceptors: 3 LogP: 3.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/c1ccc(nc1)Oc1cccc2c1OC(C2)(C)C)\NCc1cccnc1
InChi: 1S/C22H22N4O3/c1-22(2)11-16-6-3-7-18(20(16)29-22)28-19-9-8-17(14-24-19)21(26-27)25-13-15-5-4-10-23-12-15/h3-10,12,14,27H,11,13H2,1-2H3,(H,25,26)
InChiKey: ZNLZCABXYQVLAL-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.0072	0.075	0.0887
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0678	0.0578
Schistosoma mansoni	microtubule-associated protein tau	0.076	1	1
Schistosoma mansoni	hypothetical protein	0.0356	0.4569	0.4569
Brugia malayi	hypothetical protein	0.0164	0.1994	0.2611
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1411	0.1803
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0095	0.1061	0.1061
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0224	0.2952
Brugia malayi	Troponin T	0.0072	0.075	0.0887
Schistosoma mansoni	hypothetical protein	0.0066	0.0678	0.0678
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0796	0.0952
Loa Loa (eye worm)	troponin T	0.0072	0.075	0.0887
Schistosoma mansoni	gliotactin	0.0095	0.1061	0.1061
Echinococcus granulosus	lysosomal alpha glucosidase	0.018	0.2197	0.2113
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0321	0.2228
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0678	0.0578
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0224	0.2952
Schistosoma mansoni	alpha-glucosidase	0.0155	0.1861	0.1861
Echinococcus granulosus	snurportin 1	0.0349	0.4471	0.4411
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0141	0.0345
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0678	0.0789
Schistosoma mansoni	hypothetical protein	0.0066	0.0678	0.0678
Schistosoma mansoni	hypothetical protein	0.0066	0.0678	0.0678
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0113	0.1302	0.1208
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1302	0.1302
Echinococcus granulosus	para nitrobenzyl esterase	0.0095	0.1061	0.0965
Brugia malayi	RNA, U transporter 1	0.0093	0.1033	0.128
Schistosoma mansoni	ran	0.0024	0.0108	0.0108
Brugia malayi	Melibiase family protein	0.0075	0.0796	0.0952
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0321	0.2228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0482	0.0482
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0075	0.0796	0.0796
Echinococcus multilocularis	lysosomal alpha glucosidase	0.018	0.2197	0.2113
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0321	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Brugia malayi	Carboxylesterase family protein	0.0095	0.1061	0.1318
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0095	0.1061	0.1061
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0224	0.016
Brugia malayi	Importin beta-1 subunit	0.0033	0.0224	0.016
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.021	0.2608	0.346
Onchocerca volvulus		0.0095	0.1061	0.1857
Schistosoma mansoni	acetylcholinesterase	0.0095	0.1061	0.1061
Loa Loa (eye worm)	troponin I	0.0121	0.1411	0.1803
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0321	0.2228
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0113	0.1302	0.1208
Schistosoma mansoni	alpha glucosidase	0.004	0.0321	0.0321
Trypanosoma brucei	glucosidase, putative	0.004	0.0321	0.5404
Onchocerca volvulus		0.0104	0.118	0.2571
Echinococcus multilocularis	acetylcholinesterase	0.0562	0.7333	0.7304
Schistosoma mansoni	hypothetical protein	0.0066	0.0678	0.0678
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.0321	0.0294
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0224	0.1723
Echinococcus granulosus	oncosphere protein Tso22e	0.015	0.1802	0.1714
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0224	0.0119
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.0321	0.0294
Echinococcus multilocularis	geminin	0.0356	0.4569	0.4511
Brugia malayi	hypothetical protein	0.0034	0.0247	0.0192
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0321	0.5404
Brugia malayi	Troponin family protein	0.0121	0.1411	0.1803
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0678	0.0789
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1302	0.1302
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0095	0.1061	0.0965
Loa Loa (eye worm)	carboxylesterase	0.0095	0.1061	0.1318
Brugia malayi	N-terminal motif family protein	0.0196	0.2425	0.3206
Echinococcus granulosus	GPCR family 2	0.0066	0.0678	0.0578
Loa Loa (eye worm)	troponin	0.0072	0.075	0.0887
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0678	0.0578
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0501	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0562	0.7333	0.7333
Schistosoma mansoni	hypothetical protein	0.0356	0.4569	0.4569
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1994	0.2611
Schistosoma mansoni	troponin t invertebrate	0.015	0.1802	0.1802
Loa Loa (eye worm)	acetylcholinesterase 1	0.0562	0.7333	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.018	0.2197	0.2891
Schistosoma mansoni	hypothetical protein	0.0024	0.0106	0.0106
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.0321	0.2463
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0678	0.0789
Echinococcus multilocularis	para nitrobenzyl esterase	0.0095	0.1061	0.0965
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0095	0.1061	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0482	0.0482
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0321	0.2228
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0141	0.0345
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0141	0.0345
Echinococcus multilocularis	lysosomal alpha glucosidase	0.018	0.2197	0.2113
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0095	0.1061	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0075	0.0796	0.0796
Onchocerca volvulus		0.0095	0.1061	0.1857
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0321	0.2228
Brugia malayi	Carboxylesterase family protein	0.0562	0.7333	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0482	0.0379
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0141	0.0837
Brugia malayi	Carboxylesterase family protein	0.0095	0.1061	0.1318
Loa Loa (eye worm)	carboxylesterase	0.0562	0.7333	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Leishmania major	hypothetical protein, conserved	0.0053	0.0501	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0141	0.0837
Echinococcus granulosus	troponin i	0.0121	0.1411	0.1318
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0108	0.0002
Schistosoma mansoni	hypothetical protein	0.0121	0.1411	0.1411
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0349	0.4471	0.6038
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.0321	0.0216
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.021	0.2608	0.346
Schistosoma mansoni	ran	0.0024	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.0321	0.2228
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0108	0.0833
Loa Loa (eye worm)	hypothetical protein	0.0196	0.2425	0.3206
Echinococcus multilocularis	carboxylesterase 5A	0.0562	0.7333	0.7304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0482	0.0482
Brugia malayi	Carboxylesterase family protein	0.0095	0.1061	0.1318
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0095	0.1061	0.1061
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0108	0.5
Schistosoma mansoni	troponin I	0.0121	0.1411	0.1411
Onchocerca volvulus	Troponin I homolog	0.0121	0.1411	0.3947
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.0321	0.5404
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0501	1
Schistosoma mansoni	alpha-glucosidase	0.0155	0.1861	0.1861
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0678	0.0789
Echinococcus granulosus	BC026374 protein S09 family	0.0095	0.1061	0.0965
Onchocerca volvulus		0.0095	0.1061	0.1857
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.018	0.2197	0.2891
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.0321	0.2228
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0075	0.0796	0.7225
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1302	0.1302
Brugia malayi	hypothetical protein	0.0095	0.1061	0.1318
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.0321	0.0216
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0321	1
Brugia malayi	Troponin T	0.0072	0.075	0.0887
Echinococcus granulosus	neuroligin	0.0095	0.1061	0.0965
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0501	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Mycobacterium ulcerans	carboxylesterase, LipT	0.0095	0.1061	0.5
Schistosoma mansoni	importin beta-1	0.0033	0.0224	0.0224
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0501	1
Entamoeba histolytica	hypothetical protein	0.0026	0.0141	0.1549
Onchocerca volvulus		0.0095	0.1061	0.1857
Echinococcus multilocularis	acetylcholinesterase	0.0562	0.7333	0.7304
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0482	0.0517
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0482	0.0517
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0678	0.0578
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0196	0.2425	1
Schistosoma mansoni	troponin I	0.0121	0.1411	0.1411
Loa Loa (eye worm)	hypothetical protein	0.0562	0.7333	1
Schistosoma mansoni	hypothetical protein	0.0144	0.1715	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0562	0.7333	1
Echinococcus multilocularis	neuroligin	0.0095	0.1061	0.0965
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0095	0.1061	0.0965
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0095	0.1061	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Toxoplasma gondii	melibiase subfamily protein	0.0113	0.1302	1
Onchocerca volvulus	Troponin T, skeletal muscle homolog	0.015	0.1802	0.6281
Onchocerca volvulus		0.0095	0.1061	0.1857
Echinococcus multilocularis	oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22	0.015	0.1802	0.1714
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1302	0.1302
Onchocerca volvulus		0.0164	0.1994	0.7432
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1411	0.1803
Loa Loa (eye worm)	carboxylesterase	0.0095	0.1061	0.1318
Plasmodium falciparum	importin beta, putative	0.0033	0.0224	0.2952
Trichomonas vaginalis	spcc417.12 protein, putative	0.0095	0.1061	1
Echinococcus granulosus	acetylcholinesterase	0.0562	0.7333	0.7304
Schistosoma mansoni	hypothetical protein	0.0349	0.4471	0.4471
Brugia malayi	Troponin T	0.0072	0.075	0.0887
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0095	0.1061	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0095	0.1061	0.1061
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0108	0.0002
Brugia malayi	Carboxylesterase family protein	0.0562	0.7333	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0678	0.0578
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0482	0.0379
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0482	0.0379
Schistosoma mansoni	troponin I	0.0121	0.1411	0.1411
Brugia malayi	hypothetical protein	0.0072	0.075	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1715	0.2224
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0321	0.5404
Loa Loa (eye worm)	hypothetical protein	0.021	0.2608	0.346
Brugia malayi	Calcitonin receptor-like protein seb-1	0.021	0.2608	0.346
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0321	0.2228
Echinococcus granulosus	geminin	0.0356	0.4569	0.4511
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0095	0.1061	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1061	0.1318
Brugia malayi	latrophilin 2 splice variant baaae	0.0144	0.1715	0.2224
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0113	0.1302	0.1208
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0501	0.3849
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0224	0.0119
Brugia malayi	hypothetical protein	0.0053	0.0501	0.0543
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0224	0.2952
Echinococcus granulosus	acetylcholinesterase	0.0562	0.7333	0.7304
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0095	0.1061	0.1061
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0501	1
Echinococcus multilocularis	microtubule associated protein 2	0.076	1	1
Echinococcus multilocularis	troponin i	0.0121	0.1411	0.1318
Brugia malayi	Carboxylesterase family protein	0.0095	0.1061	0.1318
Schistosoma mansoni	troponin I	0.0121	0.1411	0.1411
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0482	0.0379
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0321	0.2228
Brugia malayi	Troponin I	0.0121	0.1411	0.1803
Echinococcus multilocularis	snurportin 1	0.0349	0.4471	0.4411
Echinococcus granulosus	carboxylesterase 5A	0.0562	0.7333	0.7304

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 7 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	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: CHEMBL1857920

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 1053588