TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.425 | Formula: C24H18N4O3
H donors: 3 H acceptors: 4 LogP: 4.21 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)ccc(c2)c1nc(cc2c1c(N)n[nH]2)c1ccc(cc1)C(=O)O
InChi: 1S/C24H18N4O3/c1-31-18-9-8-15-10-17(7-6-16(15)11-18)22-21-20(27-28-23(21)25)12-19(26-22)13-2-4-14(5-3-13)24(29)30/h2-12H,1H3,(H,29,30)(H3,25,27,28)
InChiKey: MFSYVNPMBMHQSP-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	Bruton agammaglobulinemia tyrosine kinase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tyrosine protein kinase Btk29A	Get druggable targets OG5_129320	All targets in OG5_129320
Schistosoma japonicum	ko:K07370 Bruton agammaglobulinemia tyrosine kinase, putative	Get druggable targets OG5_129320	All targets in OG5_129320
Echinococcus multilocularis	tyrosine protein kinase Btk29A	Get druggable targets OG5_129320	All targets in OG5_129320
Schistosoma japonicum	Tyrosine-protein kinase BTK, putative	Get druggable targets OG5_129320	All targets in OG5_129320
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129320	All targets in OG5_129320

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
Echinococcus granulosus	E3 ubiquitin protein ligase RNF146	0.0012	0.0033	0.0033
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0023	0.0086	0.5
Schistosoma mansoni	peter pan-related	0.0012	0.0033	0.0095
Loa Loa (eye worm)	CYP4Cod1	0.0079	0.0376	0.1072
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0012	0.0033	0.0095
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Chlamydia trachomatis	SWIB complex protein	0.0686	0.3502	0.5
Brugia malayi	B-box zinc finger family protein	0.0012	0.0033	0.0095
Loa Loa (eye worm)	SRC-1	0.0007	0.0004	0.0013
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Onchocerca volvulus		0.0244	0.1226	0.3438
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0023	0.0086	0.5
Schistosoma mansoni	zinc finger protein	0.0012	0.0033	0.0095
Giardia lamblia	E3 ubiquitin ligase for Rad6p required for the ubiquitination of histone H2B	0.0012	0.0033	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0023	0.0086	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0686	0.3502	0.3502
Loa Loa (eye worm)	cytochrome P450 family protein	0.0079	0.0376	0.1072
Loa Loa (eye worm)	cytochrome P450 family protein	0.0079	0.0376	0.1072
Echinococcus granulosus	cell growth regulator with ring finger domain	0.0012	0.0033	0.0033
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0164	0.0814	0.2325
Trypanosoma cruzi	hypothetical protein, conserved	0.0244	0.1226	1
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Giardia lamblia	Kinase, NEK	0.0012	0.0033	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Echinococcus multilocularis	E3 ubiquitin protein ligase Bre1	0.0012	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Onchocerca volvulus		0.0285	0.1437	0.4048
Echinococcus multilocularis		0.0023	0.0086	0.0086
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Entamoeba histolytica	hypothetical protein	0.0012	0.0033	0.5
Leishmania major	cytochrome p450-like protein	0.0023	0.0086	0.0444
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0244	0.1226	0.3501
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0086	0.0246
Leishmania major	hypothetical protein, conserved	0.0244	0.1226	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0007	0.0004	0.0013
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0285	0.1437	0.4104
Schistosoma mansoni	hypothetical protein	0.0012	0.0033	0.0095
Echinococcus granulosus	zinc finger protein Ran binding	0.0244	0.1226	0.1226
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0244	0.1226	1
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0686	0.3502	1
Brugia malayi	brahma associated protein 60 kDa	0.0686	0.3502	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0023	0.0086	0.5
Schistosoma mansoni	tyrosine kinase	0.0007	0.0004	0.0013
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0007	0.0004	0.0004
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0086	0.0246
Onchocerca volvulus		0.0244	0.1226	0.3438
Brugia malayi	RING zinc finger protein	0.0012	0.0033	0.0095
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0244	0.1226	1
Entamoeba histolytica	SPRY domain protein	0.0012	0.0033	0.5
Onchocerca volvulus		0.0244	0.1226	0.3438
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0244	0.1226	1
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Echinococcus multilocularis	ring and YY1 binding protein	0.0244	0.1226	0.1226
Chlamydia trachomatis	DNA topoisomerase I	0.0686	0.3502	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0686	0.3502	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0244	0.1226	1
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0004	0.0004
Echinococcus multilocularis	SWI:SNF matrix associated	0.0686	0.3502	0.3502
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Echinococcus granulosus	cytochrome P450 2K1	0.0023	0.0086	0.0086
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0007	0.0004	0.0004
Schistosoma mansoni	cytochrome P450	0.0023	0.0086	0.0246
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0686	0.3502	0.3502
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0244	0.1226	0.3501
Schistosoma mansoni	hypothetical protein	0.0023	0.0086	0.0246
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0004	0.0004
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0686	0.3502	1
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0023	0.0086	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0244	0.1226	0.3438
Echinococcus multilocularis	zinc finger protein Ran binding	0.0244	0.1226	0.1226
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0244	0.1226	0.1226
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0079	0.0376	1
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0023	0.0086	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0244	0.1226	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0007	0.0004	0.0004
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0023	0.0086	0.0444
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0007	0.0004	0.0004
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Brugia malayi	Zinc finger protein 183 homolog	0.0012	0.0033	0.0095
Trypanosoma cruzi	cytochrome P450, putative	0.0079	0.0376	0.2871
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0004	0.0004
Leishmania major	hypothetical protein, conserved	0.0244	0.1226	1
Trypanosoma cruzi	cytochrome P450, putative	0.0079	0.0376	0.2871
Schistosoma mansoni	zinc finger protein	0.0244	0.1226	0.3501
Brugia malayi	Zinc finger, C2H2 type family protein	0.0012	0.0033	0.0095
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Schistosoma mansoni	RNA binding protein	0.0244	0.1226	0.3501
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0023	0.0086	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0023	0.0086	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0244	0.1226	1
Echinococcus granulosus	RING finger and transmembrane domain containing protein	0.0012	0.0033	0.0033
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0023	0.0086	0.5
Leishmania major	cytochrome p450-like protein	0.0079	0.0376	0.2871
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1226	0.3501
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0023	0.0086	0.5
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Schistosoma mansoni	rnf5	0.0012	0.0033	0.0095
Leishmania major	hypothetical protein, conserved	0.0244	0.1226	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0259	0.0738
Brugia malayi	Cytochrome P450 family protein	0.0079	0.0376	0.1072
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0023	0.0086	0.0444
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Giardia lamblia	Zinc finger domain	0.0012	0.0033	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0686	0.3502	0.3502
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Schistosoma mansoni	hypothetical protein	0.0686	0.3502	1
Brugia malayi	YY1-associated factor 2	0.0244	0.1226	0.3501
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0244	0.1226	0.3438
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0007	0.0004	0.0004
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0244	0.1226	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0007	0.0004	0.0004
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0007	0.0004	0.0013
Brugia malayi	SRC-1	0.0007	0.0004	0.0013
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Echinococcus multilocularis	E3 ubiquitin protein ligase MYLIP	0.0012	0.0033	0.0033
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0023	0.0086	0.5
Onchocerca volvulus		0.0686	0.3502	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0033	0.0095
Onchocerca volvulus		0.0244	0.1226	0.3438
Leishmania major	cytochrome p450-like protein	0.0023	0.0086	0.0444
Brugia malayi	hypothetical protein	0.0012	0.0033	0.0095
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0004	0.0004
Trypanosoma cruzi	hypothetical protein, conserved	0.0244	0.1226	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0023	0.0086	0.5
Echinococcus granulosus	E3 ubiquitin protein ligase LRSAM1	0.0012	0.0033	0.0033
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0023	0.0086	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0023	0.0086	0.0444
Brugia malayi	brahma associated protein 60 kDa	0.0686	0.3502	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0023	0.0086	0.5
Schistosoma mansoni	mind bomb	0.0012	0.0033	0.0095
Trypanosoma brucei	cytochrome P450, putative	0.0079	0.0376	0.2871
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0023	0.0086	0.0153
Echinococcus multilocularis	c src tyrosine kinase	0.0007	0.0004	0.0004
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0007	0.0004	0.0004
Toxoplasma gondii	ran binding protein	0.0244	0.1226	0.3438
Mycobacterium leprae	putative cytochrome p450	0.0023	0.0086	0.5
Giardia lamblia	Kinase	0.0012	0.0033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Entamoeba histolytica	hypothetical protein	0.0012	0.0033	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0244	0.1226	1
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0686	0.3502	1
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1226	0.3501
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0244	0.1226	0.3501
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0244	0.1226	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Schistosoma mansoni	inhibitor of apoptosis 1 diap1	0.0012	0.0033	0.0095
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0244	0.1226	0.1226
Loa Loa (eye worm)	RING finger protein 20	0.0012	0.0033	0.0095
Schistosoma mansoni	TRABID protein (C64 family)	0.0244	0.1226	0.3501
Echinococcus granulosus	ring and YY1 binding protein	0.0244	0.1226	0.1226
Brugia malayi	Cytochrome P450 family protein	0.0079	0.0376	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Schistosoma mansoni	tyrosine kinase	0.0007	0.0004	0.0013
Entamoeba histolytica	zinc finger domain containing protein	0.0012	0.0033	0.5
Echinococcus granulosus	ring finger protein 113a	0.0012	0.0033	0.0033
Schistosoma mansoni	brg-1 associated factor	0.0686	0.3502	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0023	0.0086	0.0444
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0023	0.0086	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0244	0.1226	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0686	0.3502	0.3502
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0033	0.0095
Schistosoma mansoni	hypothetical protein	0.0686	0.3502	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0007	0.0004	0.0004
Trypanosoma brucei	hypothetical protein, conserved	0.0244	0.1226	1
Echinococcus granulosus	E3 ubiquitin protein ligase Bre1	0.0012	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1437	0.4104
Echinococcus granulosus	Zinc finger RanBP2 type	0.0244	0.1226	0.1226
Brugia malayi	cytochrome P450	0.0023	0.0086	0.0246
Giardia lamblia	Ser/Thr protein kinase	0.0012	0.0033	0.5
Schistosoma mansoni	tyrosine kinase	0.0007	0.0004	0.0013
Leishmania major	hypothetical protein, conserved	0.0244	0.1226	1
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0023	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Echinococcus multilocularis	ring finger protein 113a	0.0012	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1226	0.3501
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1226	0.3501
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0686	0.3502	1
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0012	0.0033	0.0033
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0007	0.0004	0.0004
Echinococcus multilocularis	RING finger and transmembrane domain containing protein	0.0012	0.0033	0.0033
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0007	0.0004	0.0004
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0244	0.1226	0.3438
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0023	0.0086	0.0444
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0023	0.0086	0.5
Leishmania major	hypothetical protein, conserved	0.0244	0.1226	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0023	0.0086	0.5
Giardia lamblia	Zinc finger domain	0.0012	0.0033	0.5
Schistosoma mansoni	tyrosine kinase	0.0007	0.0004	0.0013
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0012	0.0033	0.0033
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0244	0.1226	0.1226
Giardia lamblia	Ribonuclease	0.0012	0.0033	0.5
Echinococcus granulosus	c src tyrosine kinase	0.0007	0.0004	0.0004
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0086	0.0246
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0023	0.0086	0.5
Echinococcus granulosus	E3 ubiquitin protein ligase MYLIP	0.0012	0.0033	0.0033
Brugia malayi	RING finger protein 20	0.0012	0.0033	0.0095
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0244	0.1226	0.3501
Giardia lamblia	Hypothetical protein	0.0012	0.0033	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0023	0.0086	0.5
Brugia malayi	hypothetical protein	0.0012	0.0033	0.0095
Schistosoma mansoni	fusion	0.0244	0.1226	0.3501
Plasmodium vivax	hypothetical protein, conserved	0.0686	0.3502	1
Loa Loa (eye worm)	cytochrome P450	0.0023	0.0086	0.0246
Brugia malayi	Hypothetical RING finger protein C16C10.7 in chromosome III	0.0012	0.0033	0.0095
Echinococcus granulosus	ring finger protein 170	0.0012	0.0033	0.0033
Loa Loa (eye worm)	brahma associated protein	0.0686	0.3502	1
Brugia malayi	hypothetical protein	0.0012	0.0033	0.0095
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Echinococcus multilocularis	RING finger protein 185	0.0012	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0244	0.1226	0.3501
Echinococcus granulosus	RING finger protein 185	0.0012	0.0033	0.0033
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0167	0.083	0.083
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0686	0.3502	1
Brugia malayi	hypothetical protein	0.0012	0.0033	0.0095
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0686	0.3502	1
Brugia malayi	hypothetical protein	0.0012	0.0033	0.0095
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0007	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0095
Echinococcus multilocularis		0.0012	0.0033	0.0033
Loa Loa (eye worm)	RiNg Finger protein family member	0.0012	0.0033	0.0095
Brugia malayi	Neuralized family protein	0.0012	0.0033	0.0095
Giardia lamblia	Kinase, NEK	0.0012	0.0033	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0007	0.0004	0.0004
Echinococcus multilocularis	ring finger protein 170	0.0012	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0244	0.1226	0.3501
Mycobacterium leprae	Conserved hypothetical protein	0.0023	0.0086	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0244	0.1226	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0686	0.3502	0.3502
Schistosoma mansoni	hypothetical protein	0.0686	0.3502	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0033	0.0095
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Echinococcus multilocularis	E3 ubiquitin protein ligase LRSAM1	0.0012	0.0033	0.0033
Schistosoma mansoni	peter pan-related	0.0012	0.0033	0.0095
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0167	0.083	0.083
Giardia lamblia	Protein 21.1	0.0012	0.0033	0.5
Schistosoma mansoni	ring finger protein 151	0.0012	0.0033	0.0095
Brugia malayi	SWIB/MDM2 domain containing protein	0.0686	0.3502	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 280 nM	BindingDB_Patents: Enzyme Assay. To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 uM), ATP (20 uM), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT in 1.6% DMSO), with a final volume of 30 uL. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 ul of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.	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.

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External resources for this compound

ChEMBL: CHEMBL3657242

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1946666