TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.438 | Formula: C22H24N2O3
H donors: 1 H acceptors: 2 LogP: 4.49 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1noc(c1)COc1ccc(c(c1)C)C)NCC(c1ccccc1)C
InChi: 1S/C22H24N2O3/c1-15-9-10-19(11-16(15)2)26-14-20-12-21(24-27-20)22(25)23-13-17(3)18-7-5-4-6-8-18/h4-12,17H,13-14H2,1-3H3,(H,23,25)
InChiKey: FRWYGLRPIPRUJB-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	K(lysine) acetyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Giardia lamblia	Histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Brugia malayi	acetyltransferase, GNAT family protein	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Cryptosporidium hominis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium vivax	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium falciparum	histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K06062 p300/CBP-associated factor, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium parvum	GCN5 like acetylase + bromodomain	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	hypothetical protein	Get druggable targets OG5_127781	All targets in OG5_127781
Babesia bovis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium berghei	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	Get druggable targets OG5_127781	All targets in OG5_127781
Entamoeba histolytica	acetyltransferase, GNAT family	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Theileria parva	histone acetyltransferase Gcn5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	Bromodomain containing protein, related	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium knowlesi	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium yoelii	histone acetyltransferase GCN5-related	Get druggable targets OG5_127781	All targets in OG5_127781

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
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
Mycobacterium ulcerans	3-dehydroquinate dehydratase	1.8691	1	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0004	0.0246
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.0021	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.0087	0.5506
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0025	0.0479
Brugia malayi	CHE-14 protein	0.0051	0.0021	0.1129
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0021	0.1129
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0023	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0016	0.078
Loa Loa (eye worm)	hypothetical protein	0.006	0.0026	0.1453
Schistosoma mansoni	hypothetical protein	0.0049	0.002	0.1284
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0004	0.0074
Echinococcus granulosus	expressed conserved protein	0.0112	0.0053	0.3436
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0023	0.0448
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0017	0.1086
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.0085	0.5447
Schistosoma mansoni	hypothetical protein	0.0049	0.002	0.1284
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.0021	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0017	0.2949
Echinococcus multilocularis	translocator protein	0.0302	0.0156	0.3003
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0053	0.1032
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0021	0.0405
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0302	0.0156	1
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0156	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0023	0.1492
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0026	0.1453
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0004	0.0074
Schistosoma mansoni	hypothetical protein	0.0043	0.0017	0.1086
Echinococcus granulosus	GPCR family 2	0.0019	0.0004	0.0246
Entamoeba histolytica	acetyltransferase, GNAT family	0.0047	0.0019	0.3298
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0023	0.1492
Entamoeba histolytica	hypothetical protein	0.0043	0.0017	0.2949
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0004	0.0074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0023	0.1492
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0057	0.3684
Schistosoma mansoni	hypothetical protein	0.0049	0.002	0.1284
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0023	0.0448
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.0021	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0017	0.0326
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0021	0.1363
Giardia lamblia	Histone acetyltransferase GCN5	0.0047	0.0019	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0017	0.2949
Brugia malayi	hypothetical protein	0.0043	0.0017	0.0861
Onchocerca volvulus		0.0302	0.0156	0.5
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.0518	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0085	0.1634
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0004	0.0246
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0023	0.1492
Onchocerca volvulus		0.0302	0.0156	0.5
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.0087	0.1686
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.0021	1
Echinococcus multilocularis	protein patched	0.0051	0.0021	0.0405
Schistosoma mansoni	hypothetical protein	0.0019	0.0004	0.0246
Schistosoma mansoni	hypothetical protein	0.0049	0.002	0.1284
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0004	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0057	0.3524
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0023	0.1277
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.0087	0.5616
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0026	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0156	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0023	0.1492
Onchocerca volvulus		0.0302	0.0156	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0026	0.1453
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0057	0.3524
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0016	0.078
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0058	0.3747
Loa Loa (eye worm)	acetyltransferase	0.0175	0.0087	0.5506
Schistosoma mansoni	hypothetical protein	0.0041	0.0016	0.1007
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0027	0.1534
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0021	0.1129
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.0019	1
Onchocerca volvulus		0.0302	0.0156	0.5
Echinococcus granulosus	translocator protein	0.0302	0.0156	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.0021	1
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	1.8691	1	0.5
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0021	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0156	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0017	0.2949
Schistosoma mansoni	hypothetical protein	0.0019	0.0004	0.0246
Schistosoma mansoni	hypothetical protein	0.0019	0.0004	0.0246
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0021	0.9886
Schistosoma mansoni	patched 1	0.0051	0.0021	0.1347
Brugia malayi	hypothetical protein	0.0122	0.0059	0.3637
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0021	0.1347
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.0057	1
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0085	0.544
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0156	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0017	0.1086
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0057	0.1106
Brugia malayi	TspO/MBR family protein	0.0302	0.0156	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1413 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3048 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1721658

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 1529658