TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 568.81 | Formula: C34H54N3O4+
H donors: 4 H acceptors: 4 LogP: 6.88 Rotable bonds: 25
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](c1ccc(cc1)NC(=O)CCCCC[n+]1ccccc1)O)CO
InChi: 1S/C34H53N3O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-33(40)36-31(28-38)34(41)29-21-23-30(24-22-29)35-32(39)19-15-12-16-25-37-26-17-13-18-27-37/h13,17-18,21-24,26-27,31,34,38,41H,2-12,14-16,19-20,25,28H2,1H3,(H-,35,36,39,40)/p+1/t31-,34-/m1/s1
InChiKey: NMXOTFTXRKPKPF-QIKUIUABSA-O

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
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1312	0.6032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2175	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1233	0.1233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0299	0.1373
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.1544	0.1544
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.1233	0.1233
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0299	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0299	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1233	0.1727
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0519	0.0867
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0299	0.0299
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.2175	0.7394
Loa Loa (eye worm)	cysteine protease	0.0017	0.0299	0.0418
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.2175	0.7394
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.1233	0.1727
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1312	0.3993
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0299	0.0418
Leishmania major	cathepsin L-like protease	0.0065	0.2837	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.1312	0.1045
Schistosoma mansoni	hypothetical protein	0.0041	0.1544	0.1544
Toxoplasma gondii	exonuclease III APE	0.0021	0.0519	0.1172
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Onchocerca volvulus		0.0017	0.0299	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.1312	0.1312
Brugia malayi	RNA recognition motif domain containing protein	0.0147	0.7143	1
Brugia malayi	RNA binding protein	0.0147	0.7143	1
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.2175	0.2175
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.2175	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.2127	0.2127
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1312	0.3423
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.2127	0.2978
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.2175	0.2175
Brugia malayi	Inositol-1	0.0036	0.1312	0.1837
Entamoeba histolytica	hypothetical protein	0.0041	0.1544	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.1312	0.8498
Onchocerca volvulus		0.0017	0.0299	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.2175	0.7394
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0519	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0299	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0299	0.0418
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.2837	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.1312	1
Echinococcus granulosus	tar DNA binding protein	0.0147	0.7143	0.7143
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0519	0.0726
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.2175	0.2175
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0299	0.0418
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.2175	0.7394
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.2837	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Brugia malayi	hypothetical protein	0.0041	0.1544	0.2162
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.7143	0.7143
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.2127	0.2978
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.2175	0.1935
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0299	0.0418
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.7143	0.7143
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0299	0.0299
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.1233	0.1727
Schistosoma mansoni	hypothetical protein	0.0075	0.3366	0.3366
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0519	0.0867
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.1312	0.6032
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2175	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1312	0.1312
Onchocerca volvulus		0.0017	0.0299	1
Brugia malayi	MAP kinase sur-1	0.0053	0.2175	0.3045
Schistosoma mansoni	hypothetical protein	0.0202	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.3366	0.4713
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.7143	0.7143
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.2175	0.7394
Entamoeba histolytica	hypothetical protein	0.0041	0.1544	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1312	0.3993
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.011	0.5204	0.7286
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0299	0.0299
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1312	0.1312
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0299	0.1934
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.7143	0.7143
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0299	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.2175	0.3045
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.2127	0.2127
Onchocerca volvulus		0.0017	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.5204	0.7286
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0519	0.0519
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.2837	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0299	0.1373
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Schistosoma mansoni	ap endonuclease	0.0021	0.0519	0.0519
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.1233	0.0964
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.011	0.5204	0.7286
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0519	0.0227
Schistosoma mansoni	hypothetical protein	0.0202	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0519	0.3358
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.1233	0.1233
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0299	0.0418
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0519	0.2384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Echinococcus multilocularis	GPCR, family 2	0.0035	0.1233	0.0964
Giardia lamblia	Kinase, CMGC MAPK	0.0053	0.2175	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Leishmania major	cathepsin L-like protease	0.0065	0.2837	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0299	0.0418
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.1111	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Echinococcus granulosus	GPCR family 2	0.0035	0.1233	0.1233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.2127	0.1885
Loa Loa (eye worm)	inositol-1	0.0036	0.1312	0.1837
Trypanosoma brucei	protein kinase, putative	0.0053	0.2175	0.7147
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.2127	0.1885
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.2127	0.2127
Loa Loa (eye worm)	ctsf protein	0.0017	0.0299	0.0418
Loa Loa (eye worm)	fibroinase	0.0017	0.0299	0.0418
Onchocerca volvulus		0.0017	0.0299	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.1111	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Onchocerca volvulus		0.0017	0.0299	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1233	0.1233
Schistosoma mansoni	ap endonuclease	0.0021	0.0519	0.0519
Onchocerca volvulus		0.0017	0.0299	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0519	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0519	0.0867
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.1544	0.1284
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.2175	0.7147
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.1544	0.1544
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2175	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0519	0.0726
Entamoeba histolytica	hypothetical protein	0.0041	0.1544	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1233	0.1233
Leishmania major	cathepsin L-like protease	0.0065	0.2837	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.011	0.5204	0.7286
Loa Loa (eye worm)	TAR-binding protein	0.0147	0.7143	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.2538	0.8824
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0519	0.5
Brugia malayi	TAR-binding protein	0.0147	0.7143	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.2127	0.2127
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Echinococcus multilocularis	geminin	0.0202	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0519	0.2384
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.2127	0.2127
Echinococcus granulosus	cathepsin l1	0.0017	0.0299	0.0299
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0299	0.0299
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.1312	0.5401
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.1233	0.0964
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.2175	0.1935
Loa Loa (eye worm)	RNA binding protein	0.0147	0.7143	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0299	0.1934
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0299	0.1934
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.2175	0.7394
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2175	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1312	0.6032
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0147	0.7143	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.21	0.7098
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0299	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0299	0.0418
Echinococcus multilocularis	tar DNA binding protein	0.0147	0.7143	0.7055
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Schistosoma mansoni	tar DNA-binding protein	0.0147	0.7143	0.7143
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.1233	0.1727
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Entamoeba histolytica	hypothetical protein	0.0041	0.1544	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2837	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0299	0.1373
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.3366	0.4713
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.2837	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0299	0.0418
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0299	0.1373
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.1312	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1233	0.1233
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1312	0.3993

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: CHEMBL1180621

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 1162392