TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.481 | Formula: C22H27N5O4
H donors: 3 H acceptors: 5 LogP: 2.79 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)c1cc(O)nc2c1cccc2)CC(C)C
InChi: 1S/C22H27N5O4/c1-4-5-10-26-19(23)18(20(29)25-22(26)31)27(12-13(2)3)21(30)15-11-17(28)24-16-9-7-6-8-14(15)16/h6-9,11,13H,4-5,10,12,23H2,1-3H3,(H,24,28)(H,25,29,31)
InChiKey: DXKYEADVXPQUIR-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0025	0.1974	0.2373
Schistosoma mansoni	hypothetical protein	0.0018	0.1208	0.1453
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.1547	0.186
Echinococcus granulosus	lamin	0.0031	0.2742	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0046	0.4518	0.4795
Echinococcus granulosus	lamin dm0	0.0031	0.2742	0.3513
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.7436	0.8939
Schistosoma mansoni	lamin	0.0031	0.2742	0.3296
Echinococcus granulosus	zinc finger protein	0.0026	0.2049	0.2625
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.1011	0.0537
Schistosoma mansoni	hypothetical protein	0.0019	0.1277	0.1535
Leishmania major	hypothetical protein, conserved	0.0018	0.1208	0.5
Brugia malayi	PHD-finger family protein	0.0032	0.2814	0.2435
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0242	0.031
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.1547	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0745	0.0564
Schistosoma mansoni	cpg binding protein	0.0033	0.2984	0.3587
Brugia malayi	Bromodomain containing protein	0.0046	0.4508	0.4219
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.1277	0.1636
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0029	0.2474	0.2974
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.1548	0.1465
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.1277	0.1636
Loa Loa (eye worm)	hypothetical protein	0.0053	0.5359	0.5737
Schistosoma mansoni	lamin	0.0031	0.2742	0.3296
Loa Loa (eye worm)	hypothetical protein	0.0031	0.2674	0.2727
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.146	0.1871
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.1277	0.1636
Echinococcus multilocularis	zinc finger protein	0.0026	0.2049	0.2625
Schistosoma mansoni	hypothetical protein	0.0019	0.1277	0.1535
Schistosoma mansoni	zinc finger protein	0.0026	0.2049	0.2463
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.6166	0.5964
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.3903	0.3582
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0029	0.2474	0.317
Echinococcus granulosus	GPCR family 2	0.0019	0.1277	0.1636
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.1277	0.0817
Echinococcus multilocularis	GPCR, family 2	0.0019	0.1277	0.1636
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.1277	0.1636
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0074	0.7805	1
Schistosoma mansoni	hypothetical protein	0.0041	0.3903	0.4691
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.146	0.1755
Trypanosoma cruzi	ISWI complex protein	0.0018	0.1208	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.6166	0.6642
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.1277	0.0817
Schistosoma mansoni	intermediate filament proteins	0.0031	0.2742	0.3296
Trypanosoma cruzi	ISWI complex protein	0.0018	0.1208	0.5
Trypanosoma brucei	ISWI complex protein	0.0018	0.1208	0.5
Schistosoma mansoni	cpg binding protein	0.0038	0.3485	0.4189
Echinococcus granulosus	intermediate filament protein	0.0031	0.2742	0.3513
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.1277	0.116
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.2984	0.3075
Schistosoma mansoni	bromodomain containing protein	0.0078	0.8319	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.1547	0.186
Schistosoma mansoni	hypothetical protein	0.0019	0.1277	0.1535
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.2742	0.2803
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0813	0.1042
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0242	0.031
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.6166	0.5964
Echinococcus multilocularis	lamin	0.0031	0.2742	0.3513
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.1974	0.1942
Echinococcus granulosus	cpg binding protein	0.0038	0.3485	0.4465
Schistosoma mansoni	cpg binding protein	0.0038	0.3485	0.4189
Onchocerca volvulus		0.0033	0.2984	1
Schistosoma mansoni	hypothetical protein	0.0019	0.1277	0.1535
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.1547	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3903	0.4105
Schistosoma mansoni	zinc finger protein	0.0018	0.1208	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1547	0.1463
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.1011	0.0862
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.2742	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0049	0.4858	0.5176
Brugia malayi	CXXC zinc finger family protein	0.0033	0.2984	0.2615
Echinococcus multilocularis	musashi	0.0031	0.2742	0.3513
Brugia malayi	intermediate filament protein	0.0031	0.2742	0.236
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.4169	0.5341
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.2742	0.236
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0745	0.0564
Echinococcus multilocularis	lamin dm0	0.0031	0.2742	0.3513
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.4169	0.5341
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.6166	0.6642
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0813	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1277	0.116
Echinococcus granulosus	fetal alzheimer antigen falz	0.0029	0.2474	0.317
Loa Loa (eye worm)	hypothetical protein	0.0031	0.2742	0.2803
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.146	0.1755
Echinococcus multilocularis	cpg binding protein	0.0038	0.3485	0.4465
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.6876	0.5
Loa Loa (eye worm)	hypothetical protein	0.0085	0.916	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.146	0.1871
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0074	0.7805	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0813	0.064

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1698782

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 1496974