TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 482.014 | Formula: C27H32ClN3O3
H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CCCNCc1ccc(nc1)c1ccc(cc1)CN(C(=O)COc1ccccc1Cl)CCOC
InChi: 1S/C27H32ClN3O3/c1-3-14-29-17-22-10-13-25(30-18-22)23-11-8-21(9-12-23)19-31(15-16-33-2)27(32)20-34-26-7-5-4-6-24(26)28/h4-13,18,29H,3,14-17,19-20H2,1-2H3
InChiKey: ROIWMTGLROQKHH-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

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
Plasmodium vivax	SET domain protein, putative	0.0034	0.0343	0.5458
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0129	0.026
Trichomonas vaginalis	ap endonuclease, putative	0.0043	0.0515	0.0784
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0129	0.026
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0154	0.2703	0.5463
Loa Loa (eye worm)	hypothetical protein	0.0268	0.4948	0.7811
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0154	0.2703	0.2608
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0129	0.026
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0154	0.2703	0.4267
Schistosoma mansoni	hypothetical protein	0.0339	0.6334	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0043	0.0515	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.038	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0223	0.2279
Schistosoma mansoni	hypothetical protein	0.0077	0.1195	0.1718
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0753	0.1522
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0184	0.1235
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0236	0.4316	0.6814
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0129	0.026
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0129	0.026
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.038	0.0768
Echinococcus multilocularis	GPCR, family 2	0.0036	0.038	0.0255
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0319	0.0193
Schistosoma mansoni	hypothetical protein	0.0143	0.2484	0.3795
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0184	0.0097
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0129	0.0203
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0129	0.026
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Entamoeba histolytica	hypothetical protein	0.0041	0.0477	0.9005
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0339	0.6334	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0136	0.2344	1
Echinococcus multilocularis	geminin	0.0171	0.3037	0.2946
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0143	0.2484	0.2386
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0136	0.2344	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0268	0.4948	0.4882
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0129	0.0203
Brugia malayi	hypothetical protein	0.0018	0.003	0.006
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0279	0.0441
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0343	0.0218
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0154	0.2703	0.2608
Echinococcus multilocularis	lamin	0.0031	0.0279	0.0152
Brugia malayi	Importin beta-1 subunit	0.0032	0.0302	0.0609
Echinococcus granulosus	intermediate filament protein	0.0031	0.0279	0.0152
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0223	0.2279
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0043	0.0515	0.5
Echinococcus multilocularis	lamin dm0	0.0031	0.0279	0.0152
Brugia malayi	hypothetical protein	0.0041	0.0477	0.0965
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0043	0.0515	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0477	0.0353
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0129	0.0203
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0137	0.0009
Schistosoma mansoni	hypothetical protein	0.0171	0.3037	0.4687
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0129	0.026
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0129	0.026
Toxoplasma gondii	aldehyde dehydrogenase	0.0136	0.2344	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0129	0.026
Schistosoma mansoni	ap endonuclease	0.0043	0.0515	0.0623
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0137	0.0216
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0137	0.0009
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0043	0.0515	1
Schistosoma mansoni	lamin	0.0031	0.0279	0.0243
Echinococcus multilocularis	neuropeptide receptor A26	0.0525	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0129	0.026
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0343	0.0935
Echinococcus granulosus	GPCR family 2	0.0036	0.038	0.0255
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0753	0.1006
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0343	0.0218
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0129	0.0203
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0129	0.026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0154	0.2703	0.4148
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0043	0.0515	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.038	0.06
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0143	0.2484	0.2386
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0302	0.4354
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0129	0.026
Schistosoma mansoni	ran	0.0023	0.0137	0.0014
Plasmodium falciparum	importin beta, putative	0.0032	0.0302	0.4354
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0223	0.2279
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0343	0.0346
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0043	0.0515	1
Schistosoma mansoni	ap endonuclease	0.0043	0.0515	0.0623
Trichomonas vaginalis	ap endonuclease, putative	0.0043	0.0515	0.0784
Echinococcus granulosus	lamin	0.0031	0.0279	0.0152
Onchocerca volvulus		0.0031	0.0279	0.0312
Onchocerca volvulus		0.0031	0.0279	0.0312
Schistosoma mansoni	thyroid hormone receptor	0.0166	0.2934	0.4521
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0302	0.0476
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0343	0.0218
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0129	0.026
Schistosoma mansoni	lamin	0.0031	0.0279	0.0243
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0154	0.2703	0.2608
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0136	0.2344	0.2245
Brugia malayi	steroid hormone receptor	0.0023	0.0129	0.026
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0223	0.2279
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0302	0.4354
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.1897	0.3833
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0343	0.0346
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0129	0.0203
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0302	0.0175
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0279	0.0243
Schistosoma mansoni	hypothetical protein	0.0171	0.3037	0.4687
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0136	0.2344	1
Echinococcus granulosus	neuropeptide receptor A26	0.0525	1	1
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0302	0.0175
Echinococcus multilocularis	musashi	0.0031	0.0279	0.0152
Schistosoma mansoni	thyroid hormone receptor	0.0166	0.2934	0.4521
Echinococcus granulosus	snurportin 1	0.0339	0.6334	0.6287
Schistosoma mansoni	hypothetical protein	0.0055	0.0753	0.1006
Brugia malayi	RNA, U transporter 1	0.009	0.1451	0.2933
Schistosoma mansoni	hypothetical protein	0.0036	0.038	0.0405
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0223	0.039
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0137	0.0277
Echinococcus multilocularis	neuropeptide s receptor	0.0525	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0043	0.0515	0.0392
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0129	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0343	0.0542
Brugia malayi	Pre-SET motif family protein	0.0236	0.4316	0.8723
Echinococcus granulosus	lamin dm0	0.0031	0.0279	0.0152
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.1897	0.3833
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0043	0.0515	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0223	0.0352
Brugia malayi	nuclear hormone receptor	0.0023	0.0129	0.026
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0223	0.2279
Schistosoma mansoni	hypothetical protein	0.0036	0.038	0.0405
Entamoeba histolytica	hypothetical protein	0.0041	0.0477	0.9005
Echinococcus granulosus	geminin	0.0171	0.3037	0.2946
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0129	0.026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0154	0.2703	0.4148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0154	0.2703	0.2608
Schistosoma mansoni	ran	0.0023	0.0137	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1897	0.2994
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0302	0.0746
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0184	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1195	0.1886
Onchocerca volvulus		0.0268	0.4957	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0279	0.0441
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0129	0.026
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0166	0.2934	0.2842
Entamoeba histolytica	hypothetical protein	0.0041	0.0477	0.9005
Schistosoma mansoni	importin beta-1	0.0032	0.0302	0.0279
Brugia malayi	Pre-SET motif family protein	0.0034	0.0343	0.0694
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0129	0.0203
Toxoplasma gondii	exonuclease III APE	0.0043	0.0515	0.1713
Echinococcus granulosus	survival motor neuron protein 1	0.0268	0.4948	0.4882
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0136	0.2344	0.2245
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0043	0.0515	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0043	0.0515	0.1041
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.038	0.0255
Schistosoma mansoni	aldehyde dehydrogenase	0.0136	0.2344	0.357
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0043	0.0515	0.1713
Schistosoma mansoni	hypothetical protein	0.0036	0.038	0.0405
Schistosoma mansoni	hypothetical protein	0.0041	0.0477	0.0562
Entamoeba histolytica	hypothetical protein	0.0041	0.0477	0.9005
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0136	0.2344	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0043	0.0515	0.0392
Trichomonas vaginalis	set domain proteins, putative	0.0268	0.4957	1
Echinococcus multilocularis	snurportin 1	0.0339	0.6334	0.6287
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.1897	0.2994
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.038	0.0255
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.1195	0.2414
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.038	0.0255
Brugia malayi	hypothetical protein	0.0268	0.4948	1
Entamoeba histolytica	hypothetical protein	0.0026	0.0184	0.1235
Brugia malayi	intermediate filament protein	0.0031	0.0279	0.0564
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0184	0.0097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0154	0.2703	0.4148
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0223	0.2279
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0129	0.026
Loa Loa (eye worm)	hypothetical protein	0.003	0.0268	0.0423
Leishmania major	hypothetical protein, conserved	0.0028	0.0223	0.039
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0477	0.0562
Onchocerca volvulus		0.0034	0.0343	0.0445
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0129	0.0203
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0279	0.0441
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0343	0.0346
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0043	0.0515	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.038	0.0255
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0129	0.026
Brugia malayi	ecdysteroid receptor	0.0023	0.0129	0.026
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0302	0.4354
Schistosoma mansoni	hypothetical protein	0.0036	0.038	0.0405
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0136	0.2344	1
Brugia malayi	hypothetical protein	0.0028	0.0223	0.0451
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0279	0.0564
Schistosoma mansoni	aldehyde dehydrogenase	0.0136	0.2344	0.357
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0477	0.0353
Onchocerca volvulus		0.0055	0.0753	0.1293
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0043	0.0515	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0129	0.0203
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0184	0.0097
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0343	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0036	0.038	0.06

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: CHEMBL547314

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 1043036