TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.464 | Formula: C23H26N2O3
H donors: 1 H acceptors: 2 LogP: 3.63 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(C[C@H]2N([C@@H]1CC2)C(=O)NC(C)C)c1ccc2c(c1)cccc2
InChi: 1S/C23H26N2O3/c1-14(2)24-23(27)25-18-10-11-20(25)21(22(26)28-3)19(13-18)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14,18,20H,10-11,13H2,1-3H3,(H,24,27)/t18-,20+/m0/s1
InChiKey: GWPJOONRFXBPFM-AZUAARDMSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0351	0.0351
Brugia malayi	Bromodomain containing protein	0.0091	0.1184	0.1184
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.027	0.0248
Leishmania major	hypothetical protein, conserved	0.0037	0.0351	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0708	0.0708
Schistosoma mansoni	BC026374 protein (S09 family)	0.011	0.1494	0.1476
Schistosoma mansoni	zinc finger protein	0.0024	0.0135	0.0114
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0063	0.0042
Echinococcus multilocularis	lamin dm0	0.0028	0.0204	0.0182
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0088	0.0066
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0175	0.4656
Schistosoma mansoni	zinc finger protein	0.0018	0.0054	0.0033
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0088	0.0066
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0063	0.0063
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.1256	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0592	0.0592
Echinococcus granulosus	carboxylesterase 5A	0.0653	1	1
Echinococcus multilocularis	muscleblind protein 1	0.015	0.2108	0.2091
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0708	0.0708
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0351	1
Onchocerca volvulus		0.011	0.1494	0.3619
Brugia malayi	beta-lactamase family protein	0.0037	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0536	0.0536
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.006	0.0708	0.0708
Onchocerca volvulus		0.0037	0.0351	0.0412
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0653	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0653	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1256	0.1237
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.1783	0.1783
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.011	0.1494	0.3345
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0204	0.0204
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0175	0.4656
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0351	0.0351
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0351	0.0943
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0351	0.0943
Echinococcus granulosus	GPCR family 2	0.0019	0.0063	0.0042
Schistosoma mansoni	gliotactin	0.011	0.1494	0.1476
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Schistosoma mansoni	hypothetical protein	0.0359	0.5387	0.5377
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1256	0.1237
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0063	0.0042
Leishmania major	hypothetical protein, conserved	0.0018	0.0054	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0041	0.041	0.041
Brugia malayi	hypothetical protein	0.011	0.1494	0.1494
Onchocerca volvulus		0.0037	0.0351	0.0412
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1256	0.1237
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0351	0.033
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0351	0.0943
Onchocerca volvulus		0.011	0.1494	0.3619
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0895	0.0875
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1256	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0491	0.0491
Echinococcus multilocularis	musashi	0.0028	0.0204	0.0182
Onchocerca volvulus		0.0037	0.0351	0.0412
Echinococcus granulosus	BC026374 protein S09 family	0.011	0.1494	0.1476
Brugia malayi	beta-lactamase	0.0037	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0063
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.1783	0.1783
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0175	0.0175
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0192	0.017
Schistosoma mansoni	neuroligin 3 (S09 family)	0.011	0.1494	0.1476
Toxoplasma gondii	ABC1 family protein	0.0037	0.0351	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1256	0.1237
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0204	0.0182
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0653	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0251	0.0229
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0351	0.0351
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0063	0.0063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1256	0.1237
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.011	0.1494	0.1476
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0019	0.0063	0.0042
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0053	0.0592	0.0572
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.011	0.1494	0.4223
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0351	0.0943
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0572	0.0572
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0175	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0054	0.0033
Onchocerca volvulus		0.0032	0.027	0.0185
Brugia malayi	Carboxylesterase family protein	0.011	0.1494	0.1494
Echinococcus granulosus	neuroligin	0.011	0.1494	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0351	0.0351
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.027	0.0248
Brugia malayi	beta-lactamase family protein	0.0037	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0351	0.0351
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.3283	0.3283
Schistosoma mansoni	hypothetical protein	0.0019	0.0063	0.0042
Echinococcus granulosus	zinc finger protein	0.0024	0.0135	0.0114
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.377	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0175	0.4656
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0192	0.017
Loa Loa (eye worm)	acetylcholinesterase 1	0.0653	1	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1103	0.1103
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0351	0.0943
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0175	1
Brugia malayi	MH2 domain containing protein	0.0129	0.1783	0.1783
Echinococcus granulosus	lamin	0.0028	0.0204	0.0182
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0351	0.5
Echinococcus granulosus	lamin dm0	0.0028	0.0204	0.0182
Brugia malayi	hypothetical protein	0.0017	0.003	0.003
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0054	0.0987
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0063	0.0042
Brugia malayi	Carboxylesterase family protein	0.011	0.1494	0.1494
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Brugia malayi	Bromodomain containing protein	0.0046	0.049	0.049
Onchocerca volvulus		0.011	0.1494	0.3619
Brugia malayi	Carboxylesterase family protein	0.011	0.1494	0.1494
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0088	0.0066
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0351	0.0943
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0063	0.0042
Echinococcus granulosus	histone lysine methyltransferase setb	0.0053	0.0592	0.0572
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0022	0.0022
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0351	0.033
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.011	0.1494	0.1476
Schistosoma mansoni	lamin	0.0028	0.0204	0.0182
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0204	0.0204
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0022	0.0022
Brugia malayi	PHD-finger family protein	0.003	0.0236	0.0236
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.011	0.1494	0.1476
Loa Loa (eye worm)	carboxylesterase	0.0653	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.011	0.1494	0.1476
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0175	0.4656
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Echinococcus multilocularis	muscleblind protein	0.015	0.2108	0.2091
Mycobacterium tuberculosis	Carboxylesterase LipT	0.011	0.1494	0.4223
Echinococcus granulosus	acetylcholinesterase	0.0653	1	1
Schistosoma mansoni	acetylcholinesterase	0.011	0.1494	0.1476
Onchocerca volvulus		0.0255	0.377	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0088	0.0066
Schistosoma mansoni	hypothetical protein	0.0041	0.041	0.0389
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0175	0.4656
Brugia malayi	Carboxylesterase family protein	0.011	0.1494	0.1494
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.027	0.7529
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0351	0.033
Trichomonas vaginalis	spcc417.12 protein, putative	0.011	0.1494	0.3345
Echinococcus multilocularis	zinc finger protein	0.0024	0.0135	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0196	0.0196
Echinococcus multilocularis	para nitrobenzyl esterase	0.011	0.1494	0.1476
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0963	0.0943
Loa Loa (eye worm)	carboxylesterase	0.011	0.1494	0.1494
Echinococcus granulosus	acetylcholinesterase	0.0653	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0445	0.0424
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0351	0.0943
Brugia malayi	Pre-SET motif family protein	0.0032	0.027	0.027
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0099	0.0099
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0155	0.0155
Echinococcus multilocularis	carboxylesterase 5A	0.0653	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.2108	0.2108
Plasmodium vivax	SET domain protein, putative	0.0032	0.027	0.7529
Schistosoma mansoni	lamin	0.0028	0.0204	0.0182
Echinococcus granulosus	para nitrobenzyl esterase	0.011	0.1494	0.1476
Loa Loa (eye worm)	carboxylesterase	0.011	0.1494	0.1494
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0351	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.011	0.1494	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0445	0.0424
Brugia malayi	hypothetical protein	0.0026	0.0175	0.0175
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.011	0.1494	0.4223
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0351	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0359	0.5387	0.5377
Schistosoma mansoni	hypothetical protein	0.0025	0.0155	0.0134
Schistosoma mansoni	hypothetical protein	0.0019	0.0063	0.0042
Echinococcus multilocularis	neuroligin	0.011	0.1494	0.1476
Onchocerca volvulus		0.011	0.1494	0.3619
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0053	0.0592	0.0572
Onchocerca volvulus		0.011	0.1494	0.3619
Echinococcus multilocularis	geminin	0.0359	0.5387	0.5377
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0351	0.0943
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0351	0.0943
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0175	0.4656
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.041	0.041
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.3508	1
Loa Loa (eye worm)	hypothetical protein	0.0653	1	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0351	0.0943
Echinococcus multilocularis	acetylcholinesterase	0.0653	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0063	0.0042
Brugia malayi	Muscleblind-like protein	0.015	0.2108	0.2108
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0192	0.017
Echinococcus granulosus	muscleblind protein	0.015	0.2108	0.2091
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0351	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.011	0.1494	0.1476
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.1494	0.1494
Echinococcus multilocularis	BC026374 protein (S09 family)	0.011	0.1494	0.1476
Echinococcus multilocularis	lamin	0.0028	0.0204	0.0182
Brugia malayi	Carboxylesterase family protein	0.0653	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.1256	0.1256
Brugia malayi	intermediate filament protein	0.0028	0.0204	0.0204
Echinococcus granulosus	geminin	0.0359	0.5387	0.5377
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0054	0.0987
Echinococcus granulosus	intermediate filament protein	0.0028	0.0204	0.0182
Trypanosoma brucei	ISWI complex protein	0.0018	0.0054	0.0987
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0351	0.033
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0708	0.0708
Brugia malayi	Pre-SET motif family protein	0.0224	0.3283	0.3283
Loa Loa (eye worm)	hypothetical protein	0.015	0.2108	0.2108
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0053	0.0592	0.0572
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.027	0.0248
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0895	0.0875
Schistosoma mansoni	hypothetical protein	0.0019	0.0063	0.0042
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1256	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0351	0.0351

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 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)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1895586

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 1571055