TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.605 | Formula: C26H38N4O3
H donors: 0 H acceptors: 2 LogP: 2.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCOCC1
InChi: 1S/C26H38N4O3/c31-25(29-13-7-23(8-14-29)27-11-1-2-12-27)21-3-5-22(6-4-21)26(32)30-15-9-24(10-16-30)28-17-19-33-20-18-28/h3-6,23-24H,1-2,7-20H2
InChiKey: RPPFMIBFVHTWMX-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	l(3)mbt-like 4 (Drosophila)	Starlite/ChEMBL	References
Homo sapiens	Scm-like with four mbt domains 1	Starlite/ChEMBL	References
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	References
Homo sapiens	mbt domain containing 1	Starlite/ChEMBL	References
Homo sapiens	l(3)mbt-like 3 (Drosophila)	Starlite/ChEMBL	References
Homo sapiens	chromobox homolog 7	Starlite/ChEMBL	References
Homo sapiens	ubiquitin-like with PHD and ring finger domains 1	Starlite/ChEMBL	References
Homo sapiens	PHD finger protein 23	Starlite/ChEMBL	References
Homo sapiens	tumor protein p53 binding protein 1	Starlite/ChEMBL	References
Homo sapiens	lysine (K)-specific demethylase 5A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	jumonji/arid domain-containing protein	Get druggable targets OG5_127370	All targets in OG5_127370
Schistosoma japonicum	Histone demethylase rbr-2, putative	Get druggable targets OG5_127370	All targets in OG5_127370
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Brugia malayi	mbt repeat family protein	Get druggable targets OG5_131594	All targets in OG5_131594
Babesia bovis	jmjC transcription factor, putative	Get druggable targets OG5_127370	All targets in OG5_127370
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	Get druggable targets OG5_133554	All targets in OG5_133554
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	Get druggable targets OG5_127370	All targets in OG5_127370
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127370	All targets in OG5_127370
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127370	All targets in OG5_127370
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	jumonji/arid domain-containing protein	Get druggable targets OG5_127370	All targets in OG5_127370
Candida albicans	similar to S. cerevisiae YJR119C	Get druggable targets OG5_127370	All targets in OG5_127370
Onchocerca volvulus	Polycomb protein Sfmbt homolog	Get druggable targets OG5_131594	All targets in OG5_131594
Toxoplasma gondii	hypothetical protein	Get druggable targets OG5_127370	All targets in OG5_127370
Neospora caninum	hypothetical protein	Get druggable targets OG5_127370	All targets in OG5_127370
Schistosoma japonicum	IPR011011,Zinc finger, FYVE/PHD-type,domain-containing	Get druggable targets OG5_127370	All targets in OG5_127370
Echinococcus granulosus	SAM and MBT domain containing protein	Get druggable targets OG5_133554	All targets in OG5_133554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131594	All targets in OG5_131594
Echinococcus multilocularis	lysine specific demethylase 5A	Get druggable targets OG5_127370	All targets in OG5_127370
Echinococcus multilocularis	SAM and MBT domain containing protein	Get druggable targets OG5_133554	All targets in OG5_133554
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	Get druggable targets OG5_127370	All targets in OG5_127370
Candida albicans	similar to S. cerevisiae YJR119C	Get druggable targets OG5_127370	All targets in OG5_127370
Echinococcus granulosus	lysine specific demethylase 5A	Get druggable targets OG5_127370	All targets in OG5_127370
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127370	All targets in OG5_127370
Schistosoma japonicum	Scm-like with four MBT domains protein 1, putative	Get druggable targets OG5_133554	All targets in OG5_133554
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	Get druggable targets OG5_127370	All targets in OG5_127370

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
Schistosoma mansoni	sex comb on midleg homolog	0.036	0.3247	0.3244
Plasmodium falciparum	cysteine repeat modular protein 4	0.0079	0.0405	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0111	0.0735	0.0732
Schistosoma mansoni	hypothetical protein	0.0392	0.3573	0.3571
Echinococcus granulosus	lysine specific demethylase 5A	0.0111	0.0735	0.0856
Echinococcus granulosus	histone acetyltransferase myst3	0.009	0.052	0.0605
Entamoeba histolytica	hypothetical protein	0.0079	0.0405	0.5
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0115	0.0769	0.0895
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0059	0.0065
Echinococcus granulosus	tumor suppressor p53 binding protein 1	0.0392	0.3573	0.4174
Schistosoma mansoni	sex comb on midleg homolog	0.036	0.3247	0.3244
Loa Loa (eye worm)	MBCTL1	0.0115	0.0769	0.0761
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0093	0.0551	0.0967
Loa Loa (eye worm)	TK/EPH protein kinase	0.0966	0.9383	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.01	0.0043
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0332	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0332	0.0293
Onchocerca volvulus		0.0798	0.7681	1
Echinococcus multilocularis	histone acetyltransferase myst3	0.009	0.052	0.0605
Echinococcus multilocularis	liprin alpha 2	0.0093	0.0551	0.064
Brugia malayi	Liprin-alpha 2	0.0093	0.0551	0.0967
Schistosoma mansoni	DNAj-like protein	0.0072	0.0332	0.0329
Entamoeba histolytica	cysteine-rich surface protein, putative	0.0079	0.0405	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0332	0.0293
Entamoeba histolytica	protein kinase, putative	0.0079	0.0405	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0079	0.0405	0.5
Schistosoma mansoni	polyhomeotic	0.0072	0.0332	0.0329
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0159	0.1217	0.5
Echinococcus multilocularis	Sterile alpha motif SAM	0.0072	0.0332	0.0385
Trypanosoma cruzi	hypothetical protein	0.0072	0.0332	0.5
Trypanosoma brucei	Present in the outer mitochondrial membrane proteome 24	0.0072	0.0332	0.5
Schistosoma mansoni	chromobox protein	0.0236	0.1996	0.1993
Brugia malayi	GCC2 and GCC3 family protein	0.0079	0.0405	0.0679
Brugia malayi	bicaudal-C	0.0072	0.0332	0.0537
Echinococcus multilocularis	polyhomeotic protein 2	0.0072	0.0332	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0405	0.0371
Echinococcus granulosus	histone acetyltransferase MYST2	0.0115	0.0769	0.0895
Schistosoma mansoni	phd finger protein	0.009	0.052	0.0517
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0072	0.0332	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0798	0.7681	0.8174
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0111	0.0735	0.0732
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0137	0.0991	0.1154
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0405	0.0371
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0137	0.0991	0.1154
Echinococcus granulosus	polycomb protein SCMH1	0.036	0.3247	0.3792
Toxoplasma gondii	kringle domain-containing protein	0.0079	0.0405	1
Echinococcus granulosus	ephrin type A receptor 4 A	0.0884	0.8557	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0769	0.0761
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0093	0.0551	0.064
Onchocerca volvulus		0.0079	0.0405	0.0098
Loa Loa (eye worm)	jmjC domain-containing protein	0.0164	0.1268	0.1296
Brugia malayi	Shank2E	0.0072	0.0332	0.0537
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0884	0.8557	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0624	0.5924	0.6922
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0093	0.0551	0.0548
Schistosoma mansoni	ephrin receptor	0.0806	0.776	0.7759
Loa Loa (eye worm)	hypothetical protein	0.0423	0.3886	0.4105
Trypanosoma cruzi	Kinesin-13 5, putative	0.0072	0.0332	0.5
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0072	0.0332	0.0385
Echinococcus multilocularis	pdz domain containing protein	0.0072	0.0332	0.0385
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0624	0.5924	0.6922
Brugia malayi	GCC2 and GCC3 family protein	0.0079	0.0405	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0551	0.0528
Echinococcus multilocularis	polycomb protein SCMH1	0.036	0.3247	0.3792
Trichomonas vaginalis	cgi-62, putative	0.0072	0.0332	0.5
Brugia malayi	cask-interacting protein 2	0.0072	0.0332	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0332	0.0293
Echinococcus granulosus	Sterile alpha motif SAM	0.0093	0.0551	0.064
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0405	0.0371
Echinococcus multilocularis	tumor suppressor p53 binding protein 1	0.0392	0.3573	0.4174
Toxoplasma gondii	GCC2 and GCC3 domain-containing protein	0.0079	0.0405	1
Brugia malayi	ephrin receptor 1 precursor	0.0399	0.3649	0.7055
Schistosoma mansoni	spingomyelin synthetase-related	0.0072	0.0332	0.0329
Brugia malayi	mbt repeat family protein	0.0547	0.5147	1
Echinococcus granulosus	chromobox protein 2	0.0236	0.1996	0.233
Loa Loa (eye worm)	tnks protein	0.0072	0.0332	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0547	0.5147	0.5457
Echinococcus granulosus	polyhomeotic protein 2	0.0072	0.0332	0.0385
Trypanosoma cruzi	Kinesin-13 5, putative	0.0072	0.0332	0.5
Brugia malayi	Sphingomyelin synthase-related 1	0.0072	0.0332	0.0537
Plasmodium vivax	protein kinase, putative	0.0079	0.0411	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0551	0.0528
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0059	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0405	0.0371
Loa Loa (eye worm)	mbt repeat family protein	0.0331	0.2959	0.311
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0115	0.0769	0.0895
Schistosoma mansoni	Protein aveugle	0.0072	0.0332	0.0329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0059	0.0056
Echinococcus granulosus	Sterile alpha motif type	0.0072	0.0332	0.0385
Brugia malayi	hypothetical protein	0.0072	0.0332	0.0537
Brugia malayi	GCC2 and GCC3 family protein	0.0079	0.0405	0.0679
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0115	0.0769	0.1395
Echinococcus multilocularis	Sterile alpha motif type	0.0072	0.0332	0.0385
Echinococcus granulosus	pdz domain containing protein	0.0072	0.0332	0.0385
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0461	0.4271	0.499
Brugia malayi	mbt repeat family protein	0.0331	0.2959	0.5698
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0461	0.4271	0.4269
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0332	0.0293
Echinococcus multilocularis	polyhomeotic proximal chromatin protein	0.0072	0.0332	0.0385
Echinococcus granulosus	liprin alpha 2	0.0072	0.0332	0.0385
Schistosoma mansoni	hypothetical protein	0.0072	0.0332	0.0329
Brugia malayi	jmjC domain containing protein	0.0164	0.1268	0.2375
Echinococcus granulosus	liprin alpha 2	0.0093	0.0551	0.064
Echinococcus multilocularis	endonuclease reverse transcriptase	0.0079	0.0405	0.0469
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0547	0.5147	0.6552
Onchocerca volvulus		0.0079	0.0405	0.0098
Schistosoma mansoni	hypothetical protein	0.0079	0.0405	0.0402
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0059	0.0065
Schistosoma mansoni	hypothetical protein	0.0072	0.0332	0.0329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0059	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0551	0.0528
Plasmodium falciparum	cysteine repeat modular protein 1	0.0079	0.0405	0.5
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0115	0.0769	0.0895
Toxoplasma gondii	hypothetical protein	0.0079	0.0405	1
Trypanosoma brucei	SAM domain (Sterile alpha motif), putative	0.0072	0.0332	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.01	0.008
Plasmodium falciparum	conserved protein, unknown function	0.0079	0.0405	0.5
Entamoeba histolytica	hypothetical protein	0.0079	0.0405	0.5
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0072	0.0332	0.5
Toxoplasma gondii	PLU-1 family protein	0.0053	0.014	0.3464
Giardia lamblia	Hypothetical protein	0.0079	0.0405	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0059	0.0056
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0093	0.0551	0.064
Brugia malayi	hypothetical protein	0.0072	0.0332	0.0537
Echinococcus multilocularis	chromobox protein 2	0.0236	0.1996	0.233
Echinococcus granulosus	polyhomeotic proximal chromatin protein	0.0072	0.0332	0.0385
Echinococcus granulosus	SAM and MBT domain containing protein	0.0461	0.4271	0.499
Brugia malayi	AIDA-1b	0.0072	0.0332	0.0537
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0093	0.0551	0.0528
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0059	0.0056
Echinococcus multilocularis	lysine specific demethylase 5A	0.0093	0.0547	0.0636
Echinococcus multilocularis	liprin alpha 2	0.0072	0.0332	0.0385
Onchocerca volvulus		0.0403	0.3683	0.456
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0791	0.7608	0.8891
Loa Loa (eye worm)	AIDA-1b	0.0072	0.0332	0.0293
Brugia malayi	coiled-coil like protein 1	0.0093	0.0551	0.0967
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0093	0.0551	0.0548
Giardia lamblia	CEGP1 protein	0.0079	0.0405	1
Echinococcus granulosus	endonuclease reverse transcriptase	0.0079	0.0405	0.0469
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0159	0.1217	0.5
Schistosoma mansoni	Protein aveugle	0.0072	0.0332	0.0329
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.01	0.0043
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.01	0.008
Brugia malayi	GCC2 and GCC3 family protein	0.0079	0.0405	0.0679
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0115	0.0769	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0332	0.0293
Plasmodium falciparum	cysteine repeat modular protein 3	0.0079	0.0405	0.5
Plasmodium falciparum	cysteine repeat modular protein 2	0.0079	0.0405	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.1 uM	Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay	ChEMBL.	24040942
IC50 (binding)	= 1.5 uM	Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	= 7.1 uM	Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942
IC50 (binding)	> 10 uM	Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay	ChEMBL.	24040942

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: CHEMBL2426486

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1783084