TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 689.804 | Formula: C35H47N9O6
H donors: 8 H acceptors: 6 LogP: 1.18 Rotable bonds: 19
Rule of 5 violations (Lipinski): 3
SMILES: CC(=O)O.CCN(C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N=C(N)N)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)c1ccccc1
InChi: 1S/C33H43N9O4.C2H4O2/c1-2-42(21-23-10-14-25(15-11-23)24-7-4-3-5-8-24)29(44)20-39-30(45)27(9-6-18-38-32(34)35)40-31(46)28(41-33(36)37)19-22-12-16-26(43)17-13-22;1-2(3)4/h3-5,7-8,10-17,27-28,43H,2,6,9,18-21H2,1H3,(H,39,45)(H,40,46)(H4,34,35,38)(H4,36,37,41);1H3,(H,3,4)/t27-,28+;/m1./s1
InChiKey: JYSOLCJZDZLEQR-CNORLSDQSA-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

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	tar DNA-binding protein	0.0065	0.0215	0.0223
Echinococcus granulosus	protein jagged 1	0.0043	0.0061	0.0012
Echinococcus granulosus	carboxylesterase 5A	0.0066	0.0223	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0248	0.0261
Echinococcus granulosus	protein jagged 2	0.0043	0.0061	0.0012
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0423	0.2762	0.3881
Brugia malayi	dihydrofolate reductase family protein	0.0417	0.2722	0.3119
Plasmodium falciparum	cysteine repeat modular protein 1	0.0785	0.534	0.5314
Echinococcus granulosus	fibropellin Ia	0.0043	0.0061	0.0012
Schistosoma mansoni	hypothetical protein	0.0785	0.534	0.6109
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0046	0.0084	0.0072
Echinococcus multilocularis	histone deacetylase 7	0.0042	0.0056	0.0005
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Brugia malayi	Calcium binding EGF domain containing protein	0.0043	0.0061	0.007
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0282	0.0299
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0215	0.0246
Schistosoma mansoni	hypothetical protein	0.0315	0.1992	0.2263
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Onchocerca volvulus		0.0136	0.0719	0.0759
Echinococcus granulosus	histone deacetylase 6	0.0042	0.0056	0.0005
Echinococcus multilocularis	neurogenic locus protein delta	0.0043	0.0061	0.0012
Echinococcus multilocularis	laminin	0.0113	0.0557	0.0723
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0074	0.0282	0.0328
Echinococcus granulosus	expressed conserved protein	0.0092	0.0407	0.0508
Toxoplasma gondii	PAN domain-containing protein	0.0136	0.0719	0.0667
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0107	0.0098
Echinococcus multilocularis	protein jagged 1	0.0043	0.0061	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0248	0.0261
Echinococcus multilocularis	notch	0.0043	0.0061	0.0012
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1023	0.7032	1
Echinococcus granulosus	protein jagged 2	0.0043	0.0061	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0407	0.0443
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0165	0.0926	0.1252
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0113	0.0557	0.0616
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0423	0.2762	0.3147
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Toxoplasma gondii	PAN domain-containing protein	0.0136	0.0719	0.0667
Chlamydia trachomatis	dihydrofolate reductase	0.0417	0.2722	0.5
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Echinococcus granulosus	histone deacetylase 6	0.0042	0.0056	0.0005
Loa Loa (eye worm)	hypothetical protein	0.1262	0.8729	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0557	0.0616
Schistosoma mansoni	septate junction protein	0.0043	0.0061	0.0046
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1023	0.7032	1
Brugia malayi	Carboxylesterase family protein	0.0066	0.0223	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2762	0.3147
Onchocerca volvulus		0.0785	0.534	0.6091
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0282	0.0299
Schistosoma mansoni	notch	0.0043	0.0061	0.0046
Echinococcus multilocularis	protein jagged 1	0.0043	0.0061	0.0012
Echinococcus multilocularis	neurogenic locus notch protein	0.0043	0.0061	0.0012
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.0449	0.0568
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0417	0.2722	0.3494
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Brugia malayi	Histone deacetylase family protein	0.0042	0.0056	0.0064
Toxoplasma gondii	peptidase family M13 protein	0.0092	0.0407	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2762	0.3147
Brugia malayi	notch-like transmembrane receptor	0.0043	0.0061	0.007
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0043	0.0061	0.0012
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0046	0.0084	0.0072
Onchocerca volvulus		0.0423	0.2762	0.3116
Trichomonas vaginalis	conserved hypothetical protein	0.0487	0.3217	1
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0074	0.0282	0.0328
Onchocerca volvulus		0.0423	0.2762	0.3116
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.0747	0.0995
Onchocerca volvulus		0.0136	0.0719	0.0759
Schistosoma mansoni	dihydrofolate reductase	0.0417	0.2722	0.3102
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Echinococcus multilocularis	thymidylate synthase	0.1023	0.7032	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0053	0.0036
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Echinococcus multilocularis	fibropellin Ia	0.0043	0.0061	0.0012
Echinococcus multilocularis	expressed conserved protein	0.0092	0.0407	0.0508
Echinococcus multilocularis	neural cadherin	0.0043	0.0061	0.0012
Giardia lamblia	High cysteine protein	0.0043	0.0061	0.5
Echinococcus granulosus	delta-like protein 1	0.0043	0.0061	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Onchocerca volvulus		0.0423	0.2762	0.3116
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1262	0.8729	1
Toxoplasma gondii	PAN domain-containing protein	0.0136	0.0719	0.0667
Echinococcus granulosus	neurogenic locus protein delta	0.0043	0.0061	0.0012
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0423	0.2762	0.3147
Brugia malayi	RNA binding protein	0.0065	0.0215	0.0246
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0113	0.0557	0.0616
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1262	0.8729	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0136	0.0719	0.0802
Schistosoma mansoni	notch	0.0043	0.0061	0.0046
Toxoplasma gondii	microneme protein MIC17B	0.0136	0.0719	0.0667
Loa Loa (eye worm)	voltage-gated potassium channel	0.0162	0.0906	0.1017
Schistosoma mansoni	hypothetical protein	0.004	0.0042	0.0024
Echinococcus multilocularis	histone deacetylase 6	0.0042	0.0056	0.0005
Loa Loa (eye worm)	acetylcholinesterase 1	0.0066	0.0223	0.0232
Brugia malayi	Calcium binding EGF domain containing protein	0.0043	0.0061	0.007
Echinococcus multilocularis	tissue type plasminogen activator	0.0785	0.534	0.7575
Brugia malayi	Trypsin-like protease protein 5	0.0423	0.2762	0.3164
Onchocerca volvulus		0.0136	0.0719	0.0759
Brugia malayi	Cadherin domain containing protein	0.0043	0.0061	0.007
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0107	0.0077
Onchocerca volvulus		0.0423	0.2762	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Loa Loa (eye worm)	dihydrofolate reductase	0.0417	0.2722	0.3102
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0557	0.0616
Brugia malayi	Calcium binding EGF domain containing protein	0.0113	0.0557	0.0638
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0136	0.0719	0.0667
Echinococcus granulosus	protein jagged 1	0.0043	0.0061	0.0012
Loa Loa (eye worm)	hypothetical protein	0.1262	0.8729	1
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0215	0.0223
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0165	0.0926	0.1061
Schistosoma mansoni	histone deacetylase 4 5	0.0042	0.0056	0.004
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0135	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0135	0.0131
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0113	0.0557	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0078	0.0065
Schistosoma mansoni	hypothetical protein	0.004	0.0042	0.0024
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.0449	0.0568
Echinococcus granulosus	snurportin 1	0.0315	0.1992	0.2778
Brugia malayi	Delta serrate ligand family protein	0.0043	0.0061	0.007
Brugia malayi	hypothetical protein	0.0423	0.2762	0.3164
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Brugia malayi	Trypsin family protein	0.1262	0.8729	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0135	0.0079
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0215	0.0223
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0223	0.0232
Loa Loa (eye worm)	PAN domain-containing protein	0.0136	0.0719	0.0802
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0423	0.2762	0.3147
Toxoplasma gondii	hypothetical protein	0.0136	0.0719	0.0667
Toxoplasma gondii	microneme protein, putative	0.0136	0.0719	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0237	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Brugia malayi	CHE-14 protein	0.0042	0.0053	0.006
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0215	0.0223
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0215	0.0223
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Echinococcus multilocularis	neurogenic locus notch protein	0.0043	0.0061	0.0012
Schistosoma mansoni	hypothetical protein	0.004	0.0042	0.0024
Echinococcus granulosus	histone deacetylase	0.0042	0.0056	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0144	0.0165
Echinococcus granulosus	transmembrane protease serine 3	0.0423	0.2762	0.3881
Onchocerca volvulus		0.0839	0.5721	0.6531
Brugia malayi	GCC2 and GCC3 family protein	0.0043	0.0061	0.007
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0056	0.004
Echinococcus granulosus	dihydrofolate reductase	0.0417	0.2722	0.3825
Brugia malayi	Kringle domain containing protein	0.0785	0.534	0.6118
Brugia malayi	Calcium binding EGF domain containing protein	0.0043	0.0061	0.007
Toxoplasma gondii	kringle domain-containing protein	0.0785	0.534	0.5314
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0165	0.0926	0.104
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0423	0.2762	0.3164
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0092	0.0407	0.0443
Echinococcus multilocularis	Mastin	0.0423	0.2762	0.3881
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1023	0.7032	0.8052
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0113	0.0557	0.0504
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1441	1	1
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0487	0.3217	0.3178
Onchocerca volvulus		0.0045	0.0078	0.002
Echinococcus multilocularis	histone deacetylase 6	0.0042	0.0056	0.0005
Onchocerca volvulus		0.0136	0.0719	0.0759
Brugia malayi	Histone deacetylase family protein	0.0042	0.0056	0.0064
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0066	0.0223	0.0232
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0107	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Onchocerca volvulus		0.0136	0.0719	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Brugia malayi	hypothetical protein	0.0487	0.3217	0.3685
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0237	0.0248
Schistosoma mansoni	histone deacetylase hda2	0.0042	0.0056	0.004
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Echinococcus multilocularis	glycoprotein Antigen 5	0.0423	0.2762	0.3881
Toxoplasma gondii	hypothetical protein	0.0136	0.0719	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2762	0.3147
Echinococcus multilocularis	enteropeptidase	0.0423	0.2762	0.3881
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0423	0.2762	0.3881
Loa Loa (eye worm)	trypsin family protein	0.0423	0.2762	0.3147
Schistosoma mansoni	laminin gamma-3 chain	0.0043	0.0061	0.0046
Mycobacterium ulcerans	thymidylate synthase	0.1023	0.7032	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0785	0.534	0.6109
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0407	0.0443
Echinococcus multilocularis	endothelin converting enzyme 1	0.0092	0.0407	0.0508
Onchocerca volvulus		0.0136	0.0719	0.0759
Brugia malayi	Protein kinase domain containing protein	0.0785	0.534	0.6118
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0056	0.004
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0248	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Brugia malayi	TAR-binding protein	0.0065	0.0215	0.0246
Onchocerca volvulus		0.0136	0.0719	0.0759
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Brugia malayi	Fibulin-1 precursor	0.0113	0.0557	0.0638
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1441	1	1
Onchocerca volvulus		0.1262	0.8729	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0557	0.0616
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0215	0.0223
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Echinococcus granulosus	neurogenic locus notch protein 4	0.0043	0.0061	0.0012
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0417	0.2722	0.3494
Echinococcus granulosus	slit 2 protein	0.0043	0.0061	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.0747	0.0995
Echinococcus granulosus	enteropeptidase	0.0423	0.2762	0.3881
Onchocerca volvulus	Arrow homolog	0.0113	0.0557	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Echinococcus multilocularis	carboxylesterase 5A	0.0066	0.0223	0.0244
Loa Loa (eye worm)	histone deacetylase	0.0042	0.0056	0.004
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Leishmania major	hypothetical protein, conserved	0.0785	0.534	0.5314
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0557	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0557	0.0616
Brugia malayi	Trypsin family protein	0.0423	0.2762	0.3164
Echinococcus multilocularis	fibrillin 1	0.0113	0.0557	0.0723
Schistosoma mansoni	cell polarity protein	0.0043	0.0061	0.0046
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0135	0.0079
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0113	0.0557	0.0504
Onchocerca volvulus		0.0136	0.0719	0.0759
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0107	0.0098
Echinococcus multilocularis	snurportin 1	0.0315	0.1992	0.2778
Brugia malayi	Carboxylesterase family protein	0.0066	0.0223	0.0255
Schistosoma mansoni	notch	0.0043	0.0061	0.0046
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0144	0.0142
Onchocerca volvulus		0.0423	0.2762	0.3116
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0144	0.0165
Schistosoma mansoni	histone deacetylase 4 5	0.0042	0.0056	0.004
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0068	0.0237	0.0248
Brugia malayi	RNA, U transporter 1	0.0084	0.035	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Echinococcus granulosus	thymidylate synthase	0.1023	0.7032	1
Echinococcus granulosus	histone deacetylase 7	0.0042	0.0056	0.0005
Toxoplasma gondii	PAN domain-containing protein	0.0136	0.0719	0.0667
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Brugia malayi	Cadherin domain containing protein	0.0043	0.0061	0.007
Loa Loa (eye worm)	thymidylate synthase	0.1023	0.7032	0.8052
Loa Loa (eye worm)	notch protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0215	0.0232
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0417	0.2722	0.3494
Brugia malayi	Trypsin family protein	0.0423	0.2762	0.3164
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0046	0.0084	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0144	0.0142
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0068	0.0237	0.0248
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Brugia malayi	Trypsin family protein	0.0423	0.2762	0.3164
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.046	0.0504
Schistosoma mansoni	hypothetical protein	0.004	0.0042	0.0024
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0785	0.534	0.5314
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	Notch2	0.0043	0.0061	0.0046
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0107	0.0122
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0315	0.1992	0.2263
Loa Loa (eye worm)	hypothetical protein	0.0051	0.012	0.0113
Echinococcus granulosus	tissue type plasminogen activator	0.0785	0.534	0.7575
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2762	0.3147
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0043	0.0061	0.0046
Echinococcus granulosus	Tolloid protein 1	0.0113	0.0557	0.0723
Toxoplasma gondii	microneme protein MIC4	0.0136	0.0719	0.0667
Toxoplasma gondii	microneme protein MIC17A	0.0136	0.0719	0.0667
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.0449	0.0515
Brugia malayi	Peptidase family M13 containing protein	0.0092	0.0407	0.0466
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0021	0.0024
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0423	0.2762	0.3147
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0423	0.2762	0.3147
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0237	0.0248
Echinococcus multilocularis	histone deacetylase	0.0042	0.0056	0.0005
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0135	0.0079
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0046	0.0084	0.0072
Schistosoma mansoni	notch	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0237	0.0248
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Echinococcus granulosus	glycoprotein Antigen 5	0.0423	0.2762	0.3881
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1441	1	1
Schistosoma mansoni	hypothetical protein	0.0423	0.2762	0.3147
Toxoplasma gondii	EGF family domain-containing protein	0.0043	0.0061	0.0005
Onchocerca volvulus		0.0136	0.0719	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0248	0.0261
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0113	0.0557	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	egf-like domain protein	0.0113	0.0557	0.0616
Schistosoma mansoni	slit	0.0043	0.0061	0.0046
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0053	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0223	0.0232
Brugia malayi	Dihydrofolate reductase	0.0417	0.2722	0.3119
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0804	0.5475	0.7769
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0107	0.0077
Onchocerca volvulus		0.1023	0.7032	0.8043
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0043	0.0061	0.0012
Echinococcus granulosus	notch	0.0043	0.0061	0.0012
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.0449	0.5
Echinococcus multilocularis	protein jagged 2	0.0043	0.0061	0.0012
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0135	0.0079
Trypanosoma cruzi	hypothetical protein, conserved	0.0785	0.534	0.5314
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0248	0.0261
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0215	0.0223
Echinococcus granulosus	neurogenic locus notch protein	0.0043	0.0061	0.0012
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0407	0.0443
Brugia malayi	thymidylate synthase	0.1023	0.7032	0.8057
Brugia malayi	MH2 domain containing protein	0.0129	0.0673	0.0771
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0113	0.0557	0.0616
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0215	0.0223
Echinococcus granulosus	neurogenic locus notch protein	0.0043	0.0061	0.0012
Echinococcus multilocularis	slit 2 protein	0.0043	0.0061	0.0012
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0046	0.0084	0.0072
Toxoplasma gondii	PAN domain-containing protein	0.0136	0.0719	0.0667
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0165	0.0926	0.1252
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.0673	0.0749
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0423	0.2762	0.3881
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	notch	0.0043	0.0061	0.0046
Toxoplasma gondii	PAN domain-containing protein	0.0136	0.0719	0.0667
Brugia malayi	hypothetical protein	0.0053	0.0135	0.0154
Echinococcus granulosus	histone deacetylase 6	0.0042	0.0056	0.0005
Echinococcus multilocularis	neurogenic locus protein delta	0.0043	0.0061	0.0012
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0107	0.0098
Schistosoma mansoni	notch	0.0043	0.0061	0.0046
Echinococcus multilocularis	Tolloid protein 1	0.0113	0.0557	0.0723
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0215	0.0232
Echinococcus granulosus	neural cadherin	0.0043	0.0061	0.0012
Echinococcus multilocularis	histone deacetylase 6	0.0042	0.0056	0.0005
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.0223	0.0244
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0095	0.006
Brugia malayi	Muscle positioning protein 4	0.0043	0.0061	0.007
Brugia malayi	PAN domain containing protein	0.0136	0.0719	0.0824
Schistosoma mansoni	patched 1	0.0042	0.0053	0.0036
Schistosoma mansoni	hypothetical protein	0.0423	0.2762	0.3147
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1441	1	1
Loa Loa (eye worm)	hypothetical protein	0.0785	0.534	0.6109
Toxoplasma gondii	subtilisin SUB12	0.0136	0.0719	0.0667
Echinococcus granulosus	Mastin	0.0423	0.2762	0.3881
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0449	0.0492
Echinococcus multilocularis	transmembrane protease serine 3	0.0423	0.2762	0.3881
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0092	0.0407	0.0466
Echinococcus multilocularis	dihydrofolate reductase	0.0417	0.2722	0.3825
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1441	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0423	0.2762	0.3147
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0136	0.0719	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Echinococcus granulosus	acetylcholinesterase	0.0066	0.0223	0.0244
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0043	0.0061	0.007
Leishmania major	hypothetical protein, conserved	0.0053	0.0135	0.0079
Mycobacterium ulcerans	hypothetical protein	0.0423	0.2762	0.3554
Onchocerca volvulus		0.0136	0.0719	0.0759
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.0673	0.0749
Onchocerca volvulus		0.0136	0.0719	0.0759
Loa Loa (eye worm)	PAN domain-containing protein	0.0136	0.0719	0.0802
Brugia malayi	EGF-like domain containing protein	0.0043	0.0061	0.007
Echinococcus granulosus	endothelin converting enzyme 1	0.0092	0.0407	0.0508
Schistosoma mansoni	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Echinococcus granulosus	acetylcholinesterase	0.0066	0.0223	0.0244
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Loa Loa (eye worm)	PAN domain-containing protein	0.0136	0.0719	0.0802
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0135	0.0079
Toxoplasma gondii	microneme protein MIC17C	0.0136	0.0719	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0719	0.0802
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0107	0.0077
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0074	0.0282	0.0299
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0107	0.0077
Loa Loa (eye worm)	histone deacetylase 7A	0.0042	0.0056	0.004
Echinococcus granulosus	laminin	0.0113	0.0557	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Mycobacterium tuberculosis	Hypothetical protein	0.0487	0.3217	0.4241
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0423	0.2762	0.3881
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.0223	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0248	0.0261
Loa Loa (eye worm)	PAN domain-containing protein	0.0136	0.0719	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Schistosoma mansoni	cercarial elastase (S01 family)	0.0423	0.2762	0.3147
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0061	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2762	0.3147
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0135	0.0079
Loa Loa (eye worm)	carboxylesterase	0.0066	0.0223	0.0232

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 2.3 mg kg-1	Antinociceptive activity of subcutaneously administered compound in phenyl-p-benzoquinone induced writhing mice	ChEMBL.	2709377
Inhibition (functional)	= 0 %	Antinociceptive activity of perorally administered compound (20 mg) in phenyl-p-benzoquinone induced writhing mice	ChEMBL.	2709377

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: CHEMBL1159750

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 1134700