TDR Targets

Basic information

Technical information

TDR Targets ID: 1293076
Name: N-(1-adamantyl)-2-dibenzofuran-2-yloxypropana mide
MW: 389.487 | Formula: C25H27NO3
H donors: 1 H acceptors: 1 LogP: 6.05 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(Oc1ccc2c(c1)c1ccccc1o2)C)NC12CC3CC(C2)CC(C1)C3
InChi: 1S/C25H27NO3/c1-15(24(27)26-25-12-16-8-17(13-25)10-18(9-16)14-25)28-19-6-7-23-21(11-19)20-4-2-3-5-22(20)29-23/h2-7,11,15-18H,8-10,12-14H2,1H3,(H,26,27)
InChiKey: HXTCBTUAWYBYMW-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

N-(1-adamantyl)-2-dibenzofuran-2-yloxy-propanamide
N-(1-adamantyl)-2-(2-dibenzofuranyloxy)propanamide
N-(1-adamantyl)-2-dibenzofuran-2-yloxy-propionamide
T5265005
MLS000390563
SMR000259602

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	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	L aminoadipate semialdehyde	Get druggable targets OG5_129301	All targets in OG5_129301
Echinococcus granulosus	L aminoadipate semialdehyde	Get druggable targets OG5_129301	All targets in OG5_129301
Schistosoma japonicum	ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative	Get druggable targets OG5_129301	All targets in OG5_129301
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Cryptosporidium hominis	proteinx0005	Get druggable targets OG5_129301	All targets in OG5_129301
Schistosoma japonicum	expressed protein	Get druggable targets OG5_129301	All targets in OG5_129301
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	Get druggable targets OG5_129301	All targets in OG5_129301
Cryptosporidium parvum	phosphopantetheinyl transferase	Get druggable targets OG5_129301	All targets in OG5_129301
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	Get druggable targets OG5_129301	All targets in OG5_129301
Onchocerca volvulus		Get druggable targets OG5_129301	All targets in OG5_129301
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129301	All targets in OG5_129301

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Entamoeba histolytica	hypothetical protein	4'-phosphopantetheinyl transferase ffp	224 aa	198 aa	28.3 %
Onchocerca volvulus		4'-phosphopantetheinyl transferase ffp	224 aa	186 aa	26.3 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Trichomonas vaginalis	conserved hypothetical protein	4'-phosphopantetheinyl transferase ffp	224 aa	197 aa	22.3 %
Candida albicans	aminoadipate-semialdehyde dehydrogenase small subunit	4'-phosphopantetheinyl transferase ffp	224 aa	183 aa	27.3 %
Candida albicans	aminoadipate-semialdehyde dehydrogenase small subunit	4'-phosphopantetheinyl transferase ffp	224 aa	183 aa	27.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0269	0.0991
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0042	0.0153
Echinococcus multilocularis	smad	0.0016	0.0086	0.0044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0042	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Echinococcus granulosus	tar DNA binding protein	0.0126	0.1427	0.1391
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0269	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0042	0.0153
Brugia malayi	N-terminal motif family protein	0.0175	0.2013	0.7412
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0269	0.0228
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0269	0.0991
Mycobacterium leprae	conserved hypothetical protein	0.0028	0.0236	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0269	0.0991
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.01	0.1111	0.1074
Loa Loa (eye worm)	transcription factor SMAD2	0.0233	0.2716	1
Brugia malayi	RNA binding protein	0.0126	0.1427	0.5253
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0042	0.0153
Brugia malayi	TAR-binding protein	0.0126	0.1427	0.5253
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0126	0.1427	0.5253
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0042	0.0153
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0236	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.1427	0.1391
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0042	0.0153
Brugia malayi	MH1 domain containing protein	0.0016	0.0086	0.0316
Schistosoma mansoni	hypothetical protein	0.0031	0.0269	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2013	0.7412
Brugia malayi	ecdysteroid receptor	0.0012	0.0042	0.0153
Loa Loa (eye worm)	Smad1	0.0016	0.0086	0.0316
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0086	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Loa Loa (eye worm)	RNA binding protein	0.0126	0.1427	0.5253
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.108	0.3978
Echinococcus granulosus	smad	0.0016	0.0086	0.0044
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0236	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Loa Loa (eye worm)	hypothetical protein	0.01	0.1111	0.4092
Schistosoma mansoni	Smad4	0.0016	0.0086	0.0044
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.1427	0.1391
Brugia malayi	MH2 domain containing protein	0.0016	0.0086	0.0316
Schistosoma mansoni	smad	0.0016	0.0086	0.0044
Echinococcus multilocularis	Smad4	0.0016	0.0086	0.0044
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0042	0.0153
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0028	0.0236	0.5
Brugia malayi	nuclear hormone receptor	0.0012	0.0042	0.0153
Echinococcus granulosus	Smad4	0.0016	0.0086	0.0044
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0028	0.0236	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0126	0.1427	0.5253
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0086	0.0316
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0086	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0042	0.0153
Schistosoma mansoni	hypothetical protein	0.0031	0.0269	0.0228
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0086	0.0044
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0236	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.1427	0.1391
Brugia malayi	MH2 domain containing protein	0.0233	0.2716	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0042	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0042	0.0153
Echinococcus multilocularis	geminin	0.0205	0.2375	0.2343
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0028	0.0236	0.5
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0028	0.0236	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0042	0.0153
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0705	0.2596
Schistosoma mansoni	hypothetical protein	0.0067	0.0705	0.0666
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0042	0.0153
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0028	0.0236	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0042	0.0153
Entamoeba histolytica	hypothetical protein	0.0028	0.0236	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0086	0.0044
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0269	0.0228
Echinococcus multilocularis	tar DNA binding protein	0.0126	0.1427	0.1391
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.01	0.1111	0.4092
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0042	0.0153
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0042	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0042	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0042	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0042	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0705	0.2596
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0269	0.0228
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0042	0.0153
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0042	0.0153
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0042	0.0153
Leishmania major	phosphopantetheinyl transferase-like protein	0.0028	0.0236	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0269	0.0991
Schistosoma mansoni	hypothetical protein	0.0205	0.2375	0.2343
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.108	0.3978
Onchocerca volvulus		0.01	0.1111	0.5426
Brugia malayi	MH1 domain containing protein	0.0016	0.0086	0.0316
Loa Loa (eye worm)	TAR-binding protein	0.0126	0.1427	0.5253
Loa Loa (eye worm)	MH2 domain-containing protein	0.0233	0.2716	1
Brugia malayi	steroid hormone receptor	0.0012	0.0042	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0042	0.0153
Schistosoma mansoni	hypothetical protein	0.0205	0.2375	0.2343
Schistosoma mansoni	hypothetical protein	0.0031	0.0269	0.0228
Echinococcus granulosus	L aminoadipate semialdehyde	0.01	0.1111	0.1074
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0086	0.0316
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0028	0.0236	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.0269	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.1427	0.1391
Echinococcus granulosus	GPCR family 2	0.0031	0.0269	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.3978
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0028	0.0236	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0042	0.0153
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0086	0.0044
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0175	0.2013	1
Brugia malayi	MH2 domain containing protein	0.0016	0.0086	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.1427	0.1391
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.108	0.3978
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0086	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0042	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0042	0.0153
Brugia malayi	Smad1	0.0016	0.0086	0.0316
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0086	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0153
Echinococcus multilocularis	L aminoadipate semialdehyde	0.01	0.1111	0.1074
Echinococcus granulosus	geminin	0.0205	0.2375	0.2343
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0086	0.0044
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0028	0.0236	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0269	0.0228

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.005 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 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
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 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
Potency (binding)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (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 SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1407295

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 1293076