TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 496.555 | Formula: C26H32N4O6
H donors: 5 H acceptors: 6 LogP: -1.36 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)CCC(C(=O)O)NC(=O)C1Cc2ccccc2CN1C(=O)C(Cc1c(C)cc(cc1C)O)N
InChi: 1S/C26H32N4O6/c1-14-9-18(31)10-15(2)19(14)12-20(27)25(34)30-13-17-6-4-3-5-16(17)11-22(30)24(33)29-21(26(35)36)7-8-23(28)32/h3-6,9-10,20-22,31H,7-8,11-13,27H2,1-2H3,(H2,28,32)(H,29,33)(H,35,36)
InChiKey: RFWXOWAZWJAPIW-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
Trypanosoma cruzi	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0057	0.0003	0.0004
Toxoplasma gondii	histone deacetylase HDAC2	0.4658	0.7625	1
Plasmodium vivax	histone deacetylase, putative	0.1995	0.3213	0.4188
Schistosoma mansoni	histone deacetylase hda2	0.3415	0.5565	0.5565
Schistosoma mansoni	histone deacetylase 1 2 3	0.1995	0.3213	0.3213
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0068	0.0021	0.0021
Echinococcus granulosus	poly adp ribose polymerase 2	0.0241	0.0307	0.0307
Schistosoma mansoni	tyrosine kinase	0.0059	0.0006	0.0006
Trypanosoma brucei	histone deacetylase 2	0.1995	0.3213	0.4214
Echinococcus granulosus	histone deacetylase 6	0.3339	0.5439	0.5439
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0241	0.0307	0.0307
Loa Loa (eye worm)	histone deacetylase 3	0.4658	0.7625	0.7625
Leishmania major	hypothetical protein, conserved	0.0076	0.0034	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0003	0.0003
Leishmania major	hypothetical protein, conserved	0.0076	0.0034	0.0045
Echinococcus granulosus	BRCA1 associated protein	0.0076	0.0034	0.0034
Loa Loa (eye worm)	ubiquitin specific peptidase 39	0.0076	0.0034	0.0034
Echinococcus granulosus	histone deacetylase 8	0.1995	0.3213	0.3213
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0064	0.0015	0.0015
Plasmodium vivax	histone deacetylase 1, putative	0.4658	0.7625	1
Plasmodium vivax	histone deacetylase, putative	0.3339	0.5439	0.7121
Echinococcus multilocularis	histone deacetylase 3	0.4658	0.7625	0.7625
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0241	0.0307	0.0307
Echinococcus multilocularis	epidermal growth factor receptor	0.2474	0.4006	0.4006
Plasmodium falciparum	histone deacetylase 2	0.3339	0.5439	0.7134
Schistosoma mansoni	tyrosine kinase	0.2443	0.3956	0.3956
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0068	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0461	0.0461
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0068	0.0021	0.0021
Echinococcus granulosus	tyrosine protein kinase HCK	0.006	0.0008	0.0008
Schistosoma mansoni	tyrosine kinase	0.2474	0.4006	0.4006
Brugia malayi	Furin-like cysteine rich region family protein	0.4499	0.736	0.736
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.2474	0.4006	0.4006
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.1439	0.2292	0.2292
Loa Loa (eye worm)	hypothetical protein	0.6093	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.1995	0.3213	0.4214
Trichomonas vaginalis	histone deacetylase, putative	0.4658	0.7625	1
Brugia malayi	hypothetical protein	0.0235	0.0298	0.0298
Schistosoma mansoni	histone deacetylase 4 5	0.3339	0.5439	0.5439
Brugia malayi	WGR domain containing protein	0.0241	0.0307	0.0307
Schistosoma mansoni	hypothetical protein	0.0169	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.142	0.226	0.226
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0438	0.0634	0.0634
Trypanosoma cruzi	histone deacetylase, putative	0.3339	0.5439	0.7134
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0076	0.0034	0.0034
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0076	0.0034	0.0045
Echinococcus multilocularis	histone deacetylase 8	0.1995	0.3213	0.3213
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0068	0.0021	0.0021
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0814	0.1257	0.1257
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0068	0.0021	0.0021
Brugia malayi	BRCA1-associated protein 2 containing protein	0.0076	0.0034	0.0034
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0631	0.0953	0.0953
Echinococcus granulosus	histone deacetylase 3	0.4658	0.7625	0.7625
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 22	0.0076	0.0034	0.0034
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0076	0.0034	0.0034
Toxoplasma gondii	Zn-finger in ubiquitin-hydrolases domain-containing protein	0.0076	0.0034	0.0045
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0438	0.0634	0.0822
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0068	0.0021	0.0021
Echinococcus granulosus	histone deacetylase 6	0.3339	0.5439	0.5439
Loa Loa (eye worm)	histone deacetylase 7A	0.3339	0.5439	0.5439
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0101	0.0075	0.0075
Brugia malayi	histone deacetylase 3 (HD3)	0.4658	0.7625	0.7625
Echinococcus multilocularis	insulin receptor	0.1439	0.2292	0.2292
Leishmania major	histone deacetylase, putative	0.3339	0.5439	0.7134
Trypanosoma brucei	DNA repair protein, putative	0.0057	0.0003	0.0004
Trypanosoma brucei	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0057	0.0003	0.0004
Plasmodium falciparum	histone deacetylase, putative	0.3339	0.5439	0.7134
Trypanosoma cruzi	histone deacetylase 1, putative	0.4658	0.7625	1
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0068	0.0021	0.0021
Echinococcus multilocularis	tyrosine protein kinase HCK	0.006	0.0008	0.0008
Trichomonas vaginalis	histone deacetylase, putative	0.4658	0.7625	1
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.6093	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0068	0.0021	0.0021
Loa Loa (eye worm)	histone deacetylase 1	0.4658	0.7625	0.7625
Echinococcus multilocularis	histone deacetylase	0.3339	0.5439	0.5439
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0035	0.0035
Schistosoma mansoni	brca1-associated protein (brap2)	0.0076	0.0034	0.0034
Schistosoma mansoni	ubiquitin-specific peptidase 5 (C19 family)	0.0076	0.0034	0.0034
Loa Loa (eye worm)	TK/INSR protein kinase	0.1439	0.2292	0.2292
Leishmania major	hypothetical protein, conserved	0.0057	0.0003	0.0004
Trypanosoma brucei	histone deacetylase 1	0.4658	0.7625	1
Entamoeba histolytica	hypothetical protein	0.0068	0.0021	0.0017
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0241	0.0307	0.0403
Echinococcus granulosus	u4:u6.u5 tri snrnp associated protein 2	0.0076	0.0034	0.0034
Loa Loa (eye worm)	histone deacetylase 11	0.1995	0.3213	0.3213
Echinococcus multilocularis	histone deacetylase 1	0.4658	0.7625	0.7625
Echinococcus granulosus	tyrosine protein kinase Blk	0.0064	0.0015	0.0015
Toxoplasma gondii	histone deacetylase HDAC4	0.1995	0.3213	0.4214
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0068	0.0021	0.0021
Schistosoma mansoni	nephrin	0.0061	0.0009	0.0009
Toxoplasma gondii	ubiquitin specific protease 39 isoform 2, putative	0.0076	0.0034	0.0045
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.0298	0.0298
Loa Loa (eye worm)	SRC-1	0.0068	0.0021	0.0021
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0068	0.0021	0.0021
Echinococcus granulosus	insulin receptor	0.1439	0.2292	0.2292
Schistosoma mansoni	tyrosine kinase	0.1439	0.2292	0.2292
Trichomonas vaginalis	histone deacetylase, putative	0.4658	0.7625	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0076	0.0034	0.0034
Trypanosoma brucei	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0076	0.0034	0.0045
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0076	0.0034	0.0045
Trypanosoma brucei	histone deacetylase 4	0.3339	0.5439	0.7134
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0455	0.0662	0.0869
Brugia malayi	histone deacetylase 11	0.1995	0.3213	0.3213
Loa Loa (eye worm)	BRCA1-associated protein 2 containing protein	0.0076	0.0034	0.0034
Onchocerca volvulus	Histone deacetylase 10 homolog	0.1995	0.3213	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.0307	0.0307
Trypanosoma cruzi	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0076	0.0034	0.0045
Schistosoma mansoni	tyrosine kinase	0.1439	0.2292	0.2292
Leishmania major	histone deacetylase, putative	0.3339	0.5439	0.7134
Schistosoma mansoni	cell adhesion molecule	0.0064	0.0015	0.0015
Echinococcus multilocularis	histone deacetylase 7	0.3339	0.5439	0.5439
Echinococcus multilocularis	BRCA1 associated protein	0.0076	0.0034	0.0034
Echinococcus granulosus	histone deacetylase 7	0.3339	0.5439	0.5439
Echinococcus granulosus	histone deacetylase 6	0.3415	0.5565	0.5565
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.4658	0.7625	1
Schistosoma mansoni	histone deacetylase	0.4658	0.7625	0.7625
Plasmodium falciparum	histone deacetylase 1	0.4658	0.7625	1
Echinococcus granulosus	geminin	0.0169	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.1344	0.2135	0.2135
Brugia malayi	WGR domain containing protein	0.0438	0.0634	0.0634
Trichomonas vaginalis	histone deacetylase, putative	0.4658	0.7625	1
Schistosoma mansoni	tyrosine kinase	0.0068	0.0021	0.0021
Plasmodium falciparum	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0076	0.0034	0.0045
Echinococcus granulosus	WGR domain containing protein	0.0136	0.0134	0.0134
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0438	0.0634	0.0634
Loa Loa (eye worm)	TK protein kinase	0.006	0.0008	0.0008
Echinococcus granulosus	histone deacetylase	0.3339	0.5439	0.5439
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0076	0.0034	0.0034
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0068	0.0021	0.0021
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0068	0.0021	0.0021
Trypanosoma cruzi	histone deacetylase 1, putative	0.4658	0.7625	1
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0241	0.0307	0.0403
Echinococcus multilocularis	geminin	0.0169	0.0188	0.0188
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0173	0.0194	0.0194
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.0298	0.0298
Schistosoma mansoni	tyrosine kinase	0.2474	0.4006	0.4006
Brugia malayi	protein-tyrosine kinase	0.0064	0.0015	0.0015
Schistosoma mansoni	ubiquitin-specific peptidase 44 (C19 family)	0.0076	0.0034	0.0034
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.6093	1	1
Toxoplasma gondii	histone deacetylase HDAC1	0.3339	0.5439	0.7134
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.6093	1	1
Echinococcus granulosus	neuroglian	0.0061	0.0009	0.0009
Echinococcus granulosus	tyrosine kinase	0.0064	0.0015	0.0015
Giardia lamblia	Histone deacetylase	0.4658	0.7625	1
Echinococcus multilocularis	neuroglian	0.0061	0.0009	0.0009
Trypanosoma brucei	histone deacetylase, putative	0.3339	0.5439	0.7134
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0064	0.0015	0.0015
Trypanosoma cruzi	histone deacetylase, putative	0.1995	0.3213	0.4214
Loa Loa (eye worm)	hypothetical protein	0.4658	0.7625	0.7625
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0076	0.0034	0.0034
Echinococcus multilocularis	histone deacetylase 6	0.3415	0.5565	0.5565
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0076	0.0034	0.0034
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0136	0.0134	0.0134
Trichomonas vaginalis	histone deacetylase, putative	0.4658	0.7625	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.4499	0.736	0.736
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0064	0.0015	0.0015
Brugia malayi	Protein kinase domain containing protein	0.1439	0.2292	0.2292
Leishmania major	histone deacetylase, putative	0.4658	0.7625	1
Echinococcus multilocularis	histone deacetylase 6	0.3339	0.5439	0.5439
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0208	0.0253	0.0253
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0068	0.0021	0.0021
Echinococcus multilocularis	roundabout 2	0.0077	0.0035	0.0035
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0076	0.0034	0.0045
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.4658	0.7625	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0814	0.1257	0.1257
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0068	0.0021	0.0021
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.4658	0.7625	1
Onchocerca volvulus		0.0719	0.11	0.3417
Echinococcus granulosus	tm gpcr rhodopsin	0.0631	0.0953	0.0953
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0068	0.0021	0.0021
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0068	0.0021	0.0021
Trypanosoma cruzi	histone deacetylase, putative	0.3339	0.5439	0.7134
Echinococcus granulosus	epidermal growth factor receptor	0.2474	0.4006	0.4006
Trichomonas vaginalis	histone deacetylase, putative	0.4658	0.7625	1
Echinococcus multilocularis	epidermal growth factor receptor	0.4499	0.736	0.736
Entamoeba histolytica	histone deacetylase, putative	0.4658	0.7625	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0035	0.0035
Brugia malayi	Histone deacetylase family protein	0.3339	0.5439	0.5439
Trypanosoma brucei	histone deacetylase 3	0.3339	0.5439	0.7134
Schistosoma mansoni	tyrosine kinase	0.0068	0.0021	0.0021
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0064	0.0015	0.0015
Brugia malayi	Histone deacetylase family protein	0.3339	0.5439	0.5439
Echinococcus multilocularis	u4:u6.u5 tri snrnp associated protein 2	0.0076	0.0034	0.0034
Schistosoma mansoni	histone deacetylase	0.4658	0.7625	0.7625
Trypanosoma brucei	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0076	0.0034	0.0045
Echinococcus granulosus	roundabout 2	0.0077	0.0035	0.0035
Echinococcus multilocularis		0.1472	0.2346	0.2346
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0076	0.0034	0.0034
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0064	0.0015	0.0015
Echinococcus multilocularis	histone deacetylase 6	0.3339	0.5439	0.5439
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0076	0.0034	0.0045
Schistosoma mansoni	tyrosine kinase	0.2443	0.3956	0.3956
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0076	0.0034	0.0045
Trypanosoma cruzi	DNA repair protein, putative	0.0057	0.0003	0.0004
Echinococcus granulosus	histone deacetylase 1	0.4658	0.7625	0.7625
Toxoplasma gondii	UBA/TS-N domain-containing protein	0.0076	0.0034	0.0045
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase 5, putative	0.0076	0.0034	0.0034
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0068	0.0021	0.0021
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0438	0.0634	0.0634
Schistosoma mansoni	family C19 non-peptidase homologue (C19 family)	0.0076	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0015	0.0015
Leishmania major	DNA repair protein, putative	0.0057	0.0003	0.0004
Echinococcus granulosus	epidermal growth factor receptor	0.4499	0.736	0.736
Echinococcus granulosus	twitchin	0.0061	0.0009	0.0009
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0076	0.0034	0.0034
Brugia malayi	SRC-1	0.0068	0.0021	0.0021
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0076	0.0034	0.0045
Loa Loa (eye worm)	TK protein kinase	0.0064	0.0015	0.0015
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0068	0.0021	0.0021
Trypanosoma cruzi	histone deacetylase, putative	0.3339	0.5439	0.7134
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0241	0.0307	0.0403
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0068	0.0021	0.0021
Schistosoma mansoni	brca1-associated protein (brap2)	0.0076	0.0034	0.0034
Schistosoma mansoni	hypothetical protein	0.0169	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.1995	0.3213	0.3213
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 5	0.0076	0.0034	0.0034
Leishmania major	histone deacetylase, putative	0.4658	0.7625	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0762	0.1171	0.3639
Schistosoma mansoni	tyrosine kinase	0.4499	0.736	0.736
Toxoplasma gondii	histone deacetylase HDAC3	0.4658	0.7625	1
Brugia malayi	Histone deacetylase 1	0.4658	0.7625	0.7625
Toxoplasma gondii	histone deacetylase HDAC5	0.1995	0.3213	0.4214
Schistosoma mansoni	histone deacetylase 4 5	0.3339	0.5439	0.5439
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 22	0.0076	0.0034	0.0034
Schistosoma mansoni	histone deacetylase hda2	0.1995	0.3213	0.3213
Plasmodium vivax	histone deacetylase 2, putative	0.3339	0.5439	0.7121
Brugia malayi	histone deacetylase 1 (HD1)	0.4658	0.7625	0.7625
Onchocerca volvulus	Uncharacterized RING finger protein homolog	0.0076	0.0034	0.0096
Loa Loa (eye worm)	histone deacetylase	0.3339	0.5439	0.5439
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0068	0.0021	0.0021
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.1439	0.2292	0.2292
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0076	0.0034	0.0045
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0076	0.0034	0.0045
Schistosoma mansoni	tyrosine kinase	0.2443	0.3956	0.3956

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 10 uM	Inhibition of Opioid receptor mu 1 in guinea pig ileum assay	ChEMBL.	15267245
Ki (binding)	= 0.32 nM	Binding affinity for rat Opioid receptor delta 1	ChEMBL.	15267245
Ki (binding)	= 0.45 nM	Binding affinity for rat Opioid receptor delta 1	ChEMBL.	15267245
Ki (binding)	= 465 nM	Binding affinity for rat Opioid receptor mu 1	ChEMBL.	15267245
Ki (binding)	= 562 nM	Binding affinity for rat Opioid receptor mu 1	ChEMBL.	15267245
pA2 (functional)	= 8.91	Antagonist activity against deltorphin in mouse vas deferens assay	ChEMBL.	15267245
pA2 (functional)	= 8.98	Antagonist activity against deltorphin in mouse vas deferens assay	ChEMBL.	15267245
Ratio (binding)	= 1252 nM	Ratio of binding affinities for rat Opioid receptors mu 1 and delta 1	ChEMBL.	15267245
Ratio (binding)	= 1431 nM	Ratio of binding affinities for rat Opioid receptors mu 1 and delta 1	ChEMBL.	15267245

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.

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External resources for this compound

ChEMBL: 407400

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 321703