TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.434 | Formula: C22H22N4O5
H donors: 2 H acceptors: 3 LogP: 3.43 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/1\CCc2c1cc(cc2)Oc1cncc(n1)Nc1cc(OC)c(c(c1)OC)OC
InChi: 1S/C22H22N4O5/c1-28-18-8-14(9-19(29-2)22(18)30-3)24-20-11-23-12-21(25-20)31-15-6-4-13-5-7-17(26-27)16(13)10-15/h4,6,8-12,27H,5,7H2,1-3H3,(H,24,25)/b26-17+
InChiKey: FZQWMQMBTDLUTB-YZSQISJMSA-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
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.051	0.1618	0.1602
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.01	0.0081
Brugia malayi	Muscleblind-like protein	0.0146	0.04	0.04
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.051	0.1618	0.1602
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0077	0.0077
Plasmodium falciparum	protoporphyrinogen oxidase	0.0087	0.0206	1
Loa Loa (eye worm)	carboxylesterase	0.051	0.1618	0.1618
Schistosoma mansoni	amine oxidase	0.0087	0.0206	0.0187
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0071	0.0052
Echinococcus multilocularis	neuroligin	0.051	0.1618	0.1602
Loa Loa (eye worm)	hypothetical protein	0.3018	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.051	0.1618	0.3959
Mycobacterium ulcerans	carboxylesterase, LipT	0.051	0.1618	0.3659
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0077	0.0058
Onchocerca volvulus		0.051	0.1618	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.051	0.1618	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0142	0.0142
Leishmania major	UDP-galactopyranose mutase	0.0087	0.0206	1
Brugia malayi	Carboxylesterase family protein	0.051	0.1618	0.1618
Onchocerca volvulus		0.0087	0.0206	0.0834
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Loa Loa (eye worm)	carboxylesterase	0.051	0.1618	0.1618
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0077	0.0058
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0087	0.0206	1
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0056	0.01	0.01
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0087	0.0206	0.0187
Loa Loa (eye worm)	MBCTL1	0.0056	0.01	0.01
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0071	0.0052
Plasmodium vivax	hypothetical protein, conserved	0.0087	0.0206	1
Loa Loa (eye worm)	carboxylesterase	0.3018	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1242	0.4064	1
Schistosoma mansoni	gliotactin	0.051	0.1618	0.1602
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0077	0.0058
Echinococcus granulosus	neuroligin	0.051	0.1618	0.1602
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0087	0.0206	0.0187
Echinococcus multilocularis	muscleblind protein 1	0.0146	0.04	0.0382
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0087	0.0206	1
Brugia malayi	hypothetical protein	0.051	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0206	0.0206
Brugia malayi	Carboxylesterase family protein	0.051	0.1618	0.1618
Brugia malayi	mbt repeat family protein	0.0049	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0247	0.0247
Echinococcus multilocularis		0.0087	0.0206	0.0187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0071	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0142	0.0142
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.051	0.1618	0.1602
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0087	0.0206	0.0187
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.051	0.1618	0.3959
Schistosoma mansoni	BC026374 protein (S09 family)	0.051	0.1618	0.1602
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0247	0.0247
Echinococcus multilocularis	acetylcholinesterase	0.3018	1	1
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0071	0.0052
Brugia malayi	hypothetical protein	0.0087	0.0206	0.0206
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0193	0.0559	0.0541
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0247	0.0247
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0087	0.0206	1
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0071	0.0052
Onchocerca volvulus		0.051	0.1618	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.051	0.1618	0.1602
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0087	0.0206	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0206	0.0206
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0087	0.0206	1
Brugia malayi	Carboxylesterase family protein	0.3018	1	1
Echinococcus granulosus	acetylcholinesterase	0.3018	1	1
Onchocerca volvulus		0.051	0.1618	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0068	0.0142	0.0123
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0087	0.0206	0.5
Schistosoma mansoni	amine oxidase	0.0087	0.0206	0.0187
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.01	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0146	0.04	0.04
Echinococcus multilocularis	acetylcholinesterase	0.3018	1	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0206	0.0206
Echinococcus granulosus	BC026374 protein S09 family	0.051	0.1618	0.1602
Onchocerca volvulus		0.051	0.1618	1
Echinococcus granulosus	acetylcholinesterase	0.3018	1	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.01	0.0081
Mycobacterium tuberculosis	Carboxylesterase LipT	0.051	0.1618	0.3959
Schistosoma mansoni	acetylcholinesterase	0.051	0.1618	0.1602
Schistosoma mansoni	hypothetical protein	0.0298	0.091	0.0893
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0071	0.0071
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0193	0.0559	0.0541
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.01	0.0081
Trichomonas vaginalis	spcc417.12 protein, putative	0.051	0.1618	0.5
Toxoplasma gondii	histone lysine-specific demethylase	0.0087	0.0206	1
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.3018	1	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1155	0.3772	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0071	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0206	0.0206
Echinococcus granulosus	muscleblind protein	0.0146	0.04	0.0382
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0071	0.0071
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.051	0.1618	0.1602
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.3018	1	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0087	0.0206	0.0187
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0087	0.0206	1
Brugia malayi	mbt repeat family protein	0.0049	0.0077	0.0077
Echinococcus granulosus	carboxylesterase 5A	0.3018	1	1
Loa Loa (eye worm)	hypothetical protein	0.051	0.1618	0.1618
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0087	0.0206	0.5
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0087	0.0206	0.0187
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0019	0.0019
Echinococcus multilocularis	muscleblind protein	0.0146	0.04	0.0382
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.051	0.1618	0.1602
Brugia malayi	Carboxylesterase family protein	0.051	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0206	0.0206
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1242	0.4064	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0077	0.0058
Schistosoma mansoni	neuroligin 3 (S09 family)	0.051	0.1618	0.1602
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0077	0.0058
Loa Loa (eye worm)	acetylcholinesterase 1	0.3018	1	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0077	0.0058
Echinococcus multilocularis	carboxylesterase 5A	0.3018	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.051	0.1618	0.1602
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0206	0.0206
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.01	0.0081
Brugia malayi	amine oxidase, flavin-containing family protein	0.0087	0.0206	0.0206
Plasmodium vivax	hypothetical protein, conserved	0.0087	0.0206	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.051	0.1618	0.1602
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0071	0.0052
Brugia malayi	Carboxylesterase family protein	0.051	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.01	0.0247	0.0247
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.01	0.01
Brugia malayi	SWIRM domain containing protein	0.0087	0.0206	0.0206
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0087	0.0206	0.0187
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0077	0.0058
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0019	0.0019
Onchocerca volvulus		0.051	0.1618	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.04	0.04
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0087	0.0206	1

Activities

No activities found for this compound.

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: CHEMBL520632

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1020340