TDR Targets

Basic information

Technical information

TDR Targets ID: 1217218
Name: 6-(2,5-dioxopyrrolidin-1-yl)-N-(phenylmethyl) hexanamide
MW: 302.368 | Formula: C17H22N2O3
H donors: 1 H acceptors: 3 LogP: 0.96 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCc1ccccc1)CCCCCN1C(=O)CCC1=O
InChi: 1S/C17H22N2O3/c20-15(18-13-14-7-3-1-4-8-14)9-5-2-6-12-19-16(21)10-11-17(19)22/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20)
InChiKey: FWGHCKUBNHMJKN-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

6-(2,5-dioxo-1-pyrrolidinyl)-N-(phenylmethyl)hexanamide
N-(benzyl)-6-succinimido-hexanamide
MLS000051147
N-benzyl-6-(2,5-dioxo-1-pyrrolidinyl)hexanamide
SMR000079068
ZINC02866850

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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 multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

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 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0076	0.1961	0.3783
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0086	0.2357	0.6376
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0028	0.0132	0.0356
Echinococcus granulosus	muscleblind protein	0.016	0.5178	0.5016
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.0325	0.052
Onchocerca volvulus		0.0058	0.1297	0.2247
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0081	0.2165	0.5856
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.0325	0.052
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0081	0.2165	0.5856
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1182	0.0886
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0046	0.0828	0.224
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0054	0.1116	0.2941
Schistosoma mansoni	coup transcription factor	0.0033	0.0325	0.052
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0461	0.0141
Schistosoma mansoni	hypothetical protein	0.0187	0.6238	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0081	0.2165	0.5856
Echinococcus multilocularis	muscleblind protein 1	0.016	0.5178	0.5016
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0081	0.2165	0.581
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.0325	0.052
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0054	0.1116	0.2981
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0081	0.2165	0.581
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0025	0.004	0.0108
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0066	0.16	0.4329
Mycobacterium ulcerans	thioesterase	0.0067	0.1649	0.443
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0803	0.0494
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0033	0.0325	0.0325
Mycobacterium ulcerans	polyketide synthase Pks9	0.0054	0.1116	0.2981
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.0325	0.052
Brugia malayi	ecdysteroid receptor	0.0033	0.0325	0.0325
Schistosoma mansoni	hypothetical protein	0.0036	0.0461	0.0739
Schistosoma mansoni	survival motor neuron protein	0.0058	0.1297	0.2079
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0325	0.052
Onchocerca volvulus	Fatty acid synthase homolog	0.0146	0.4652	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0033	0.0325	0.0325
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.1297	0.1297
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0078	0.207	0.5599
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1106	0.0808
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0325	0.052
Brugia malayi	MH2 domain containing protein	0.0144	0.4586	0.4586
Echinococcus multilocularis	geminin	0.0187	0.6238	0.6112
Mycobacterium ulcerans	polyketide synthase Pks13	0.0121	0.3697	1
Mycobacterium ulcerans	thioesterase TesA	0.0067	0.1649	0.443
Brugia malayi	AMP-binding enzyme family protein	0.0076	0.1961	0.1961
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0325	0.0325
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0065	0.156	0.4188
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Brugia malayi	Muscleblind-like protein	0.016	0.5178	0.5178
Brugia malayi	Steroid receptor seven-up type 2	0.0033	0.0325	0.0325
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0052	0.1077	0.2574
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0325	0.0325
Mycobacterium leprae	Polyketide synthase Pks13	0.0121	0.3697	1
Echinococcus multilocularis	muscleblind protein	0.016	0.5178	0.5016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1182	0.1894
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1182	0.0886
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0065	0.156	0.4188
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0081	0.2165	0.5834
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0121	0.3697	1
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0086	0.2357	0.6337
Loa Loa (eye worm)	fatty acid synthase	0.008	0.2124	0.186
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0325	0.052
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0076	0.1961	0.1692
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0033	0.0325	0.0325
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1182	0.0886
Toxoplasma gondii	type I fatty acid synthase, putative	0.0058	0.1272	0.3708
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0058	0.1292	0.3495
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0086	0.2357	0.6337
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0033	0.032	0.0864
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0461	0.0461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1182	0.0886
Mycobacterium ulcerans	polyketide synthase	0.0086	0.2357	0.6357
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.0325	0.052
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0033	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0033	0.0325	0.0325
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.0325	0.052
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0078	0.207	0.5599
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0081	0.2165	0.5834
Onchocerca volvulus		0.0141	0.4459	0.9555
Brugia malayi	nuclear receptor NHR-88	0.0033	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.4272	0.408
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0081	0.2165	0.5834
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0	0.5
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0086	0.2357	0.6376
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.0325	0.052
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0033	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0033	0.0325	0.0325
Brugia malayi	photoreceptor-specific nuclear receptor	0.0033	0.0325	0.0325
Brugia malayi	steroid hormone receptor	0.0033	0.0325	0.0325
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0086	0.2357	0.6376
Loa Loa (eye worm)	hypothetical protein	0.016	0.5178	0.5016
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0086	0.2357	0.6337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1182	0.1894
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0325	0.0325
Toxoplasma gondii	type I fatty acid synthase, putative	0.0086	0.2357	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0121	0.3697	1
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0067	0.1649	0.4459
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0076	0.1961	0.5305
Echinococcus granulosus	geminin	0.0187	0.6238	0.6112
Loa Loa (eye worm)	acyl carrier protein	0.0037	0.0491	0.0172
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1182	0.1894
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0153	0.4939	0.4939
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.4586	0.4405
Mycobacterium ulcerans	polyketide synthase	0.0081	0.2165	0.5834
Leishmania major	hypothetical protein, conserved	0.0024	0	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1182	0.1182
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1182	0.0886
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0067	0.1649	0.4398
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0325	0.052
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0325	0.0325
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1106	0.1106
Brugia malayi	nuclear hormone receptor	0.0033	0.0325	0.0325
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0025	0.0019	0.0052
Loa Loa (eye worm)	hypothetical protein	0.016	0.5178	0.5016
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0081	0.2165	0.2165
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0086	0.2357	0.6357
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.4586	0.4405
Schistosoma mansoni	hypothetical protein	0.0187	0.6238	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0081	0.2165	0.5834
Mycobacterium ulcerans	fatty acid synthase Fas	0.0025	0.004	0.0056
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.0325	0.052
Giardia lamblia	Methyltransferase like 2	0.0024	0	0.5
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0086	0.2357	0.6357
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1106	0.0808
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1106	0.1106
Schistosoma mansoni	hypothetical protein	0.0058	0.1297	0.2079
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0019	0.0019
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0065	0.156	0.4155

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.7783 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)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1475 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)	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)	16.5113 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)	= 39.8107 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)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	112.2018 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: CHEMBL1309616

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 1217218