TDR Targets

Basic information

Technical information

TDR Targets ID: 987129
Name: [3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro phenyl]methyl]-5-methyl-6-oxopyridazin-1-yl]m ethyl 2-morpholin-4-ylethyl carbonate hydroch loride
MW: 618.44 | Formula: C28H26Cl2FN5O6
H donors: 0 H acceptors: 4 LogP: 4.3 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1cc(cc(c1)C#N)Oc1c(Cl)ccc(c1F)Cc1cc(C)c(=O)n(n1)COC(=O)OCCN1CCOCC1.Cl
InChi: 1S/C28H25ClFN5O6.ClH/c1-18-10-22(33-35(27(18)36)17-40-28(37)39-9-6-34-4-7-38-8-5-34)14-21-2-3-24(29)26(25(21)30)41-23-12-19(15-31)11-20(13-23)16-32;/h2-3,10-13H,4-9,14,17H2,1H3;1H
InChiKey: HXAUOYFRYUCRQG-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

[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-phenyl]methyl]-5-methyl-6-oxo-pyridazin-1-yl]methyl 2-morpholinoethyl carbonate hydrochloride
carbonic acid [3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxo-1-pyridazinyl]methyl 2-morpholinoethyl ester hydrochloride
carbonic acid [3-[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-benzyl]-6-keto-5-methyl-pyridazin-1-yl]methyl 2-morpholinoethyl ester hydrochloride
[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-phenyl]methyl]-5-methyl-6-oxo-pyridazin-1-yl]methyl 2-morpholin-4-ylethyl carbonate hydrochloride

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	0.0021	0.0029	0.0042
Loa Loa (eye worm)	transcription factor SMAD2	0.0508	0.6964	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0029	0.0042
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0248	0.5
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0474	0.5261
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Schistosoma mansoni	thyroid hormone receptor	0.0285	0.3791	0.3773
Brugia malayi	beta-lactamase	0.0037	0.0248	0.0356
Brugia malayi	MH1 domain containing protein	0.0035	0.022	0.0316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0029	0.0042
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0029	0.0042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Echinococcus multilocularis	GPCR, family 2	0.0103	0.1196	0.117
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Echinococcus granulosus	lamin dm0	0.0057	0.0534	0.0506
Schistosoma mansoni	Smad4	0.0035	0.022	0.0192
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0103	0.1196	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0248	0.0356
Brugia malayi	steroid hormone receptor	0.0021	0.0029	0.0042
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0029	0.0042
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0029	0.0042
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0029	0.0042
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.3054	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0057	0.0534	0.0767
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0677	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0035	0.022	0.0316
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0029	0.0042
Brugia malayi	intermediate filament protein	0.0057	0.0534	0.0767
Brugia malayi	beta-lactamase family protein	0.0037	0.0248	0.0356
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.052	0.0746
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0103	0.1196	0.117
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0248	0.0219
Onchocerca volvulus		0.0057	0.0534	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0248	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0534	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0029	0.0042
Echinococcus multilocularis	Smad4	0.0035	0.022	0.0192
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0326	0.4369	0.6273
Echinococcus multilocularis	lamin dm0	0.0057	0.0534	0.0506
Schistosoma mansoni	hypothetical protein	0.0264	0.3489	0.347
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0029	0.0042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Schistosoma mansoni	thyroid hormone receptor	0.0285	0.3791	0.3773
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0248	0.0219
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.0828	0.0801
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0029	0.0042
Schistosoma mansoni	hypothetical protein	0.0103	0.1196	0.117
Echinococcus granulosus	GPCR family 2	0.0103	0.1196	0.117
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0248	0.5
Onchocerca volvulus		0.0037	0.0248	0.4332
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0677	1
Schistosoma mansoni	microtubule-associated protein tau	0.072	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0029	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1196	0.1717
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0117	0.0088
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0248	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0248	0.0356
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.016	0.0229
Echinococcus granulosus	mothers against decapentaplegic 5	0.0035	0.022	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0223	0.29	0.4164
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0029	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0248	0.0356
Onchocerca volvulus		0.0037	0.0248	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0248	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Echinococcus multilocularis	microtubule associated protein 2	0.072	1	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0035	0.022	0.0192
Echinococcus granulosus	Smad4	0.0035	0.022	0.0192
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0248	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0508	0.6964	1
Loa Loa (eye worm)	Smad1	0.0035	0.022	0.0316
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0264	0.3489	0.347
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0326	0.4369	0.6273
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0248	0.5
Entamoeba histolytica	hypothetical protein	0.0077	0.0828	0.5
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0248	0.5
Brugia malayi	ecdysteroid receptor	0.0021	0.0029	0.0042
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0677	1
Brugia malayi	MH1 domain containing protein	0.0035	0.022	0.0316
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0117	0.0088
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0677	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0035	0.022	0.0192
Schistosoma mansoni	hypothetical protein	0.0223	0.29	0.2879
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0248	0.0219
Leishmania major	cathepsin L-like protease	0.0067	0.0677	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.0828	0.0801
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0514	0.0486
Brugia malayi	Smad1	0.0035	0.022	0.0316
Schistosoma mansoni	smad1 5 8 and	0.0035	0.022	0.0192
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0248	0.5
Echinococcus multilocularis	musashi	0.0057	0.0534	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0514	0.0738
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0248	0.0219
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0103	0.1196	0.117
Echinococcus multilocularis	smad	0.0035	0.022	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0248	0.0356
Brugia malayi	Latrophilin receptor protein 2	0.0103	0.1196	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0248	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0029	0.0042
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.0595	0.8079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0146
Schistosoma mansoni	smad1 5 8 and	0.0035	0.022	0.0192
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0285	0.3791	0.3773
Brugia malayi	MH2 domain containing protein	0.0508	0.6964	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0029	0.0042
Schistosoma mansoni	intermediate filament proteins	0.0057	0.0534	0.0506
Brugia malayi	Intermediate filament tail domain containing protein	0.0057	0.0534	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0029	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0326	0.4369	0.6273
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0029	0.0042
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0029	0.0042
Entamoeba histolytica	hypothetical protein	0.0077	0.0828	0.5
Schistosoma mansoni	lamin	0.0057	0.0534	0.0506
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0103	0.1196	0.117
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0029	0.0042
Onchocerca volvulus		0.0057	0.0534	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0035	0.022	0.0192
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0103	0.1196	0.117
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0029	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0248	0.0356
Schistosoma mansoni	smad1 5 8 and	0.0035	0.022	0.0192
Brugia malayi	nuclear hormone receptor	0.0021	0.0029	0.0042
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0326	0.4369	0.6273
Brugia malayi	hypothetical protein	0.0077	0.0828	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0146
Leishmania major	cathepsin L-like protease	0.0067	0.0677	1
Schistosoma mansoni	lamin	0.0057	0.0534	0.0506
Leishmania major	cathepsin L-like protease	0.0067	0.0677	1
Echinococcus multilocularis	lamin	0.0057	0.0534	0.0506
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0029	0.0042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0248	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0223	0.29	0.4164
Schistosoma mansoni	smad	0.0035	0.022	0.0192
Onchocerca volvulus		0.0055	0.0514	0.9604
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Echinococcus granulosus	intermediate filament protein	0.0057	0.0534	0.0506
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0042
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0264	0.3489	0.347
Brugia malayi	beta-lactamase family protein	0.0037	0.0248	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0117	0.0168
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0103	0.1196	0.1717
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0029	0.0042
Schistosoma mansoni	hypothetical protein	0.0103	0.1196	0.117
Schistosoma mansoni	hypothetical protein	0.0103	0.1196	0.117
Brugia malayi	MH2 domain containing protein	0.0035	0.022	0.0316
Echinococcus granulosus	lamin	0.0057	0.0534	0.0506
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0029	0.0042
Entamoeba histolytica	hypothetical protein	0.0077	0.0828	0.5
Echinococcus multilocularis	tumor protein p63	0.0377	0.5104	0.509
Echinococcus granulosus	smad	0.0035	0.022	0.0192
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0248	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0677	1
Schistosoma mansoni	hypothetical protein	0.0103	0.1196	0.117
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0248	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0057	0.0534	0.0767
Echinococcus granulosus	tumor protein p63	0.0377	0.5104	0.509
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.016	0.0229
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0029	0.0042
Trichomonas vaginalis	esterase, putative	0.0037	0.0248	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0035	0.022	0.0192
Mycobacterium ulcerans	lipase LipD	0.0037	0.0248	0.5
Schistosoma mansoni	hypothetical protein	0.0077	0.0828	0.0801
Onchocerca volvulus		0.0037	0.0248	0.4332
Brugia malayi	MH2 domain containing protein	0.0035	0.022	0.0316
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0248	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0029	0.0042
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.0828	0.0801
Entamoeba histolytica	hypothetical protein	0.0077	0.0828	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0035	0.022	0.0316
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0029	0.0042
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0248	0.5

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: CHEMBL442836

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 987129