TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 229.317 | Formula: C15H19NO
H donors: 1 H acceptors: 1 LogP: 2.11 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1N[C@H]2[C@@](C1)(C(=O)CCC2)c1ccccc1
InChi: 1S/C15H19NO/c1-11-10-15(12-6-3-2-4-7-12)13(16-11)8-5-9-14(15)17/h2-4,6-7,11,13,16H,5,8-10H2,1H3/t11-,13+,15-/m0/s1
InChiKey: NKSXGTCOEJQFSR-LNSITVRQSA-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
Loa Loa (eye worm)	TYRA-2 protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma brucei	prolyl endopeptidase	0.2663	0.6192	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	prolyl oligopeptidase family protein	0.0279	0.0439	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	prolyl oligopeptidase family protein	0.0279	0.0439	0.0576
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.1059	0.2321	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	prolyl oligopeptidase family protein	0.2663	0.6192	1
Brugia malayi	Dopamine receptor protein 2	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0207	0.0264	0.0427
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0158	0.0147	0.0238
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0279	0.0439	0.0295
Brugia malayi	GnHR receptor homolog	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Toxoplasma gondii	hypothetical protein	0.0279	0.0439	0.0295
Brugia malayi	Dopamine receptor	0.0158	0.0147	0.0098
Loa Loa (eye worm)	neuropeptide F receptor	0.0158	0.0147	0.0238
Brugia malayi	larval opioid receptor	0.0158	0.0147	0.0098
Echinococcus granulosus	acylamino acid releasing enzyme	0.0279	0.0439	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0279	0.0439	0.0297
Brugia malayi	G protein-coupled receptor	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	RE15519p	0.0158	0.0147	0.0098
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.2663	0.6192	0.6135
Brugia malayi	sulfakinin receptor protein	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0158	0.0147	0.0098
Onchocerca volvulus	Prolyl endopeptidase homolog	0.2663	0.6192	1
Brugia malayi	AKH receptor	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0279	0.0439	0.071
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	G-protein coupled receptor	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0279	0.0439	0.0297
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0158	0.0147	0.0098
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0279	0.0439	0.5
Brugia malayi	hypothetical protein	0.0207	0.0264	0.029
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0279	0.0439	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.1059	0.2321	0.3651
Trypanosoma cruzi	prolyl endopeptidase	0.2663	0.6192	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0158	0.0147	0.0238
Brugia malayi	Dopamine receptor protein 1	0.0158	0.0147	0.0098
Entamoeba histolytica	hypothetical protein, conserved	0.0279	0.0439	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Serotonin receptor	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Leishmania major	hypothetical protein, conserved	0.0207	0.0264	0.0278
Loa Loa (eye worm)	prolyl oligopeptidase	0.0279	0.0439	0.071
Brugia malayi	neuropeptide F receptor	0.0158	0.0147	0.0098
Trypanosoma cruzi	PAB1-binding protein , putative	0.0207	0.0264	0.0278
Brugia malayi	follicle stimulating hormone receptor	0.0158	0.0147	0.0098
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Loa Loa (eye worm)	neuropeptide F receptor	0.0158	0.0147	0.0238
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Melatonin receptor type 1A	0.0158	0.0147	0.0098
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0279	0.0439	0.0297
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.2383	0.5518	1
Brugia malayi	G-protein coupled receptor	0.0158	0.0147	0.0098
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0279	0.0439	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	prolyl oligopeptidase family protein	0.0279	0.0439	0.0576
Brugia malayi	Cytochrome P450 family protein	0.0137	0.0095	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0279	0.0439	0.071
Loa Loa (eye worm)	CYP4Cod1	0.0137	0.0095	0.0153
Trypanosoma cruzi	PAB1-binding protein , putative	0.0207	0.0264	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0158	0.0147	0.0098
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0279	0.0439	0.0297
Brugia malayi	prolyl oligopeptidase family protein	0.0279	0.0439	0.0576
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0279	0.0439	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma brucei	PAB1-binding protein , putative	0.0207	0.0264	0.0278
Loa Loa (eye worm)	G-protein coupled receptor	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	prolyl oligopeptidase	0.0279	0.0439	0.071
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0279	0.0439	0.0297
Echinococcus multilocularis	G protein coupled receptor 139	0.4241	1	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0279	0.0439	0.0565
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0279	0.0439	0.0565
Trichomonas vaginalis	conserved hypothetical protein	0.0279	0.0439	0.5
Trypanosoma brucei	oligopeptidase b	0.1059	0.2321	0.3651
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.1059	0.2321	1
Brugia malayi	putative neuropeptide receptor	0.0158	0.0147	0.0098
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0279	0.0439	0.0297
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0279	0.0439	0.5
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.1059	0.2321	0.3651
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0279	0.0439	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.1059	0.2321	0.3651
Brugia malayi	Cytochrome P450 family protein	0.0137	0.0095	0.0012
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0279	0.0439	0.5
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0279	0.0439	0.0565
Plasmodium falciparum	peptidase, putative	0.0279	0.0439	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0279	0.0439	0.0565
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0279	0.0439	0.0297
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Brugia malayi	ORL1-like opioid receptor	0.0158	0.0147	0.0098
Echinococcus granulosus	prolyl endopeptidase	0.2663	0.6192	0.6135
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Brugia malayi	neuropeptide F receptor	0.0158	0.0147	0.0098
Loa Loa (eye worm)	cytochrome P450 family protein	0.0137	0.0095	0.0153
Brugia malayi	G protein-coupled receptor F59B2.13	0.0158	0.0147	0.0098
Brugia malayi	putative neuropeptide receptor NPR1	0.0158	0.0147	0.0098
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0279	0.0439	0.5
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.1059	0.2321	0.3651
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0158	0.0147	0.0098
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0279	0.0439	0.0297
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.2663	0.6192	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma cruzi	oligopeptidase b	0.1059	0.2321	0.3651
Trypanosoma brucei	prolyl oligopeptidase, putative	0.1059	0.2321	0.3651
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	G-protein coupled receptor	0.0158	0.0147	0.0098
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0279	0.0439	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma cruzi	hypothetical protein, conserved	0.0279	0.0439	0.0565
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0279	0.0439	0.0483
Loa Loa (eye worm)	cytochrome P450 family protein	0.0137	0.0095	0.0153
Leishmania major	oligopeptidase b	0.1059	0.2321	0.3651
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0279	0.0439	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Echinococcus multilocularis	neuropeptide receptor	0.4241	1	1
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0279	0.0439	0.5
Loa Loa (eye worm)	hypothetical protein	0.2663	0.6192	1
Plasmodium vivax	hypothetical protein, conserved	0.0279	0.0439	1
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0279	0.0439	0.5
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0279	0.0439	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0158	0.0147	0.0098
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0158	0.0147	0.0098
Echinococcus multilocularis	prolyl endopeptidase	0.2663	0.6192	0.6135
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Brugia malayi	Serotonin receptor	0.0158	0.0147	0.0098
Trypanosoma cruzi	oligopeptidase b	0.1059	0.2321	0.3651
Schistosoma mansoni	neuropeptide receptor	0.4241	1	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.2663	0.6192	0.6135
Trypanosoma cruzi	hypothetical protein, conserved	0.0279	0.0439	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0147	0.0238
Toxoplasma gondii	prolyl endopeptidase	0.2663	0.6192	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0158	0.0147	0.0238
Brugia malayi	hypothetical protein	0.0158	0.0147	0.0098

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.771	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.529	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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: CHEMBL2374831

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 1767268