TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 503.676 | Formula: C31H41N3O3
H donors: 1 H acceptors: 2 LogP: 4.06 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CN(CCN(C1COc2ccccc2c2n(C1)c1cc(ccc1c2C1CCCCC1)C(=O)O)C(C)C)C
InChi: 1S/C31H41N3O3/c1-21(2)33(17-16-32(3)4)24-19-34-27-18-23(31(35)36)14-15-25(27)29(22-10-6-5-7-11-22)30(34)26-12-8-9-13-28(26)37-20-24/h8-9,12-15,18,21-22,24H,5-7,10-11,16-17,19-20H2,1-4H3,(H,35,36)
InChiKey: HWQKFAGLCTWEQA-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

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
Schistosoma mansoni	hypothetical protein	0.0041	0.0795	0.0795
Brugia malayi	Carboxylesterase family protein	0.0022	0.0185	0.0185
Echinococcus multilocularis	plexin a4	0.002	0.0102	0.0102
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.3837	0.3837
Brugia malayi	prolyl oligopeptidase family protein	0.0033	0.0549	0.0549
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0189	0.0189
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0127	0.3641	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0022	0.0185	0.0185
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0033	0.0549	0.0367
Schistosoma mansoni	voltage-gated potassium channel	0.0093	0.2521	0.2521
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0033	0.0549	0.0549
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0033	0.0549	0.0367
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0795	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0259	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0318	1	1
Echinococcus multilocularis	neuroligin	0.0022	0.0185	0.0185
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0068	0.0068
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0022	0.0185	0.0185
Loa Loa (eye worm)	prolyl oligopeptidase	0.0033	0.0549	0.0549
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0085	0.2262	0.2262
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0068	0.0068
Schistosoma mansoni	voltage-gated potassium channel	0.0025	0.0259	0.0259
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0022	0.0185	0.0185
Echinococcus granulosus	para nitrobenzyl esterase	0.0022	0.0185	0.0185
Trypanosoma cruzi	oligopeptidase b	0.0127	0.3641	0.3518
Echinococcus granulosus	acylamino acid releasing enzyme	0.0033	0.0549	0.0549
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0085	0.2262	0.2262
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0189	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Schistosoma mansoni	voltage-gated potassium channel	0.0025	0.0259	0.0259
Echinococcus granulosus	neuroligin	0.0022	0.0185	0.0185
Brugia malayi	Matrixin family protein	0.0026	0.0315	0.0315
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0127	0.3641	0.3518
Onchocerca volvulus		0.0037	0.068	0.0505
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0189	0.0013
Brugia malayi	Matrixin family protein	0.0026	0.0315	0.0315
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0033	0.0549	0.2645
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0033	0.0549	0.0549
Brugia malayi	prolyl oligopeptidase family protein	0.0033	0.0549	0.0549
Loa Loa (eye worm)	matrixin family protein	0.0058	0.1379	0.1379
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0549	0.2645
Echinococcus multilocularis	carboxylesterase 5A	0.0132	0.3837	0.3837
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0033	0.0549	0.0549
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0033	0.0549	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0058	0.1379	0.1217
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0315	0.0315
Brugia malayi	prolyl oligopeptidase family protein	0.0033	0.0549	0.0549
Echinococcus multilocularis	voltage gated potassium channel	0.0025	0.0259	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0074	0.189	0.189
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0068	0.0068
Brugia malayi	Carboxylesterase family protein	0.0022	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Brugia malayi	Matrixin family protein	0.0026	0.0315	0.0315
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0032	0.0506	0.0369
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0127	0.3641	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0033	0.0549	0.2645
Echinococcus multilocularis	prolyl endopeptidase	0.0318	1	1
Brugia malayi	Carboxylesterase family protein	0.0132	0.3837	0.3837
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0096	0.2618	0.2618
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0033	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0315	0.0315
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0549	0.0367
Mycobacterium ulcerans	hydrolase	0.0032	0.0506	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0506	0.0506
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0033	0.0549	0.0367
Trypanosoma cruzi	oligopeptidase b	0.0127	0.3641	0.3518
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0189	0.091
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0033	0.0549	1
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0033	0.0549	0.0367
Trypanosoma brucei	oligopeptidase b	0.0127	0.3641	0.3518
Toxoplasma gondii	prolyl endopeptidase	0.0318	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0019	0.0068	0.0068
Brugia malayi	plexin A	0.002	0.0102	0.0102
Echinococcus granulosus	BC026374 protein S09 family	0.0022	0.0185	0.0185
Schistosoma mansoni	hypothetical protein	0.0019	0.0068	0.0068
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0033	0.0549	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0189	0.0189
Mycobacterium tuberculosis	Probable peptidase	0.0127	0.3641	0.3969
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0033	0.0549	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0025	0.0259	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Schistosoma mansoni	ap endonuclease	0.0023	0.0189	0.0189
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0033	0.0549	0.0367
Echinococcus granulosus	acetylcholinesterase	0.0132	0.3837	0.3837
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0132	0.3837	0.3837
Entamoeba histolytica	hypothetical protein, conserved	0.0033	0.0549	1
Schistosoma mansoni	ap endonuclease	0.0023	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0549	0.0549
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0032	0.0506	0.0506
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0033	0.0549	1
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0033	0.0549	0.0549
Trypanosoma brucei	prolyl endopeptidase	0.0318	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Loa Loa (eye worm)	prolyl oligopeptidase	0.0033	0.0549	0.0549
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0022	0.0185	0.0889
Echinococcus granulosus	carboxylesterase 5A	0.0132	0.3837	0.3837
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0022	0.0185	0.0185
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0185	0.0185
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0127	0.3641	0.3518
Echinococcus granulosus	acetylcholinesterase	0.0132	0.3837	0.3837
Echinococcus granulosus	prolyl endopeptidase	0.0318	1	1
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0026	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0132	0.3837	0.3837
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0285	0.8893	1
Brugia malayi	Hemopexin family protein	0.0037	0.068	0.068
Echinococcus granulosus	voltage gated potassium channel	0.0025	0.0259	0.0259
Loa Loa (eye worm)	matrixin family protein	0.0064	0.1554	0.1554
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0025	0.0259	0.0259
Loa Loa (eye worm)	carboxylesterase	0.0132	0.3837	0.3837
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0079	0.2077	1
Schistosoma mansoni	voltage-gated potassium channel	0.0093	0.2521	0.2521
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0033	0.0549	0.0367
Brugia malayi	Matrixin family protein	0.0064	0.1554	0.1554
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0033	0.0549	0.0367
Schistosoma mansoni	acetylcholinesterase	0.0022	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0315	0.0315
Loa Loa (eye worm)	matrix metalloproteinase	0.0026	0.0315	0.0315
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0132	0.3837	0.3837
Brugia malayi	Matrixin family protein	0.0026	0.0315	0.0315
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0033	0.0549	0.0549
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0549	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0189	0.091
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1422	0.1422
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0127	0.3641	0.3969
Brugia malayi	hypothetical protein	0.0022	0.0185	0.0185
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0068	0.0068
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0318	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0068	0.0068
Onchocerca volvulus		0.0026	0.0315	0.0133
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0185	0.0185
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0033	0.0549	0.0367
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0318	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1422	0.1422
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0096	0.2618	0.2618
Trichomonas vaginalis	spcc417.12 protein, putative	0.0022	0.0185	0.0889
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0189	0.5
Brugia malayi	Carboxylesterase family protein	0.0132	0.3837	0.3837
Echinococcus granulosus	GPCR family 2	0.0019	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.006	0.1422	0.1422
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0033	0.0549	1
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0033	0.0549	0.0549
Schistosoma mansoni	BC026374 protein (S09 family)	0.0022	0.0185	0.0185
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0085	0.2262	0.2262
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.3837	0.3837
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1422	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0185	0.0185
Toxoplasma gondii	hypothetical protein	0.0033	0.0549	0.0367
Schistosoma mansoni	hypothetical protein	0.0019	0.0068	0.0068
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0127	0.3641	0.3518
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0033	0.0549	0.0372
Loa Loa (eye worm)	plexin A	0.002	0.0102	0.0102
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0318	1	1
Leishmania major	oligopeptidase b	0.0127	0.3641	0.3518
Brugia malayi	Carboxylesterase family protein	0.0022	0.0185	0.0185
Echinococcus multilocularis	para nitrobenzyl esterase	0.0022	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0795	0.0795
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0318	1	1
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0127	0.3641	0.3518
Plasmodium falciparum	peptidase, putative	0.0033	0.0549	1
Onchocerca volvulus	Matrilysin homolog	0.0026	0.0315	0.0133
Schistosoma mansoni	gliotactin	0.0022	0.0185	0.0185
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0189	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0079	0.2077	1
Schistosoma mansoni	hypothetical protein	0.0037	0.068	0.068
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0085	0.2262	0.2262
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0068	0.0068
Brugia malayi	Carboxylesterase family protein	0.0022	0.0185	0.0185
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0189	0.0189
Brugia malayi	prolyl oligopeptidase family protein	0.0033	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0549	0.0549
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0033	0.0549	0.0549
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0033	0.0549	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0549	0.0367
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0185	0.0185
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0127	0.3641	0.3518
Echinococcus granulosus	plexin a4	0.002	0.0102	0.0102
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0025	0.0259	0.0259
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0185	0.0185
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0019	0.0068	0.0068
Loa Loa (eye worm)	acetylcholinesterase 1	0.0132	0.3837	0.3837
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0033	0.0549	0.0549
Onchocerca volvulus	Matrilysin homolog	0.0058	0.1379	0.1217
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0185	0.0185
Trypanosoma cruzi	prolyl endopeptidase	0.0318	1	1

Activities

No activities found for this compound.

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: CHEMBL1651403

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 1491002