TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 536.662 | Formula: C30H40N4O5
H donors: 3 H acceptors: 4 LogP: 5.64 Rotable bonds: 17
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCOc1c(OC)cc(c2c1c(CC)ccn2)N(CCCNC(=O)N[C@@H](c1ccccc1)C(=O)O)C
InChi: 1S/C30H40N4O5/c1-5-7-11-19-39-28-24(38-4)20-23(27-25(28)21(6-2)15-17-31-27)34(3)18-12-16-32-30(37)33-26(29(35)36)22-13-9-8-10-14-22/h8-10,13-15,17,20,26H,5-7,11-12,16,18-19H2,1-4H3,(H,35,36)(H2,32,33,37)/t26-/m0/s1
InChiKey: DGHZYHWSADFGSF-SANMLTNESA-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
Echinococcus granulosus	c src tyrosine kinase	0.0199432	0.123285	0.165125
Trichomonas vaginalis	conserved hypothetical protein	0.0367209	0.289078	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	shc transforming protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	TK protein kinase	0.0113223	0.0380956	0.0393976
Brugia malayi	Tyrosine-protein kinase abl-1	0.0199432	0.123285	0.165125
Onchocerca volvulus		0.00862089	0.011401	0.0165478
Echinococcus granulosus	SH2 motif	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	vav2	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	dihydrofolate reductase	0.0314751	0.23724	0.333307
Brugia malayi	Variant SH3 domain containing protein	0.0174612	0.0987588	0.128928
Schistosoma mansoni	tyrosine kinase	0.0199432	0.123285	0.165125
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.108664	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	N chimaerin	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	suppressor of cytokine signaling 7	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	tyrosine kinase	0.0199432	0.123285	0.165125
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0174612	0.0987588	0.128928
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.108664	1	1
Onchocerca volvulus		0.0113223	0.0380956	0.0552935
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Schistosoma mansoni	SH2A	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0199432	0.123285	0.165125
Schistosoma mansoni	serine/threonine protein kinase	0.0111029	0.0359272	0.0361972
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	NCK adaptor protein	0.0174612	0.0987588	0.128928
Schistosoma mansoni	tyrosine kinase	0.0199432	0.123285	0.165125
Brugia malayi	RhoGAP domain containing protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	STAT protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	SH2 motif	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	growth factor receptor bound protein 2	0.0174612	0.0987588	0.128928
Echinococcus granulosus	SHC transforming protein 3	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	hypothetical protein	0.0113223	0.0380956	0.0393976
Schistosoma mansoni	nck2/grb4	0.0174612	0.0987588	0.128928
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.00862089	0.011401	0.0165478
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0113223	0.0380956	0.0393976
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0123843	0.0485898	0.0485898
Schistosoma mansoni	tensin-related	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0113223	0.0380956	0.0393976
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.00884033	0.0135695	0.0196952
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0199432	0.123285	0.165125
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Mycobacterium tuberculosis	Hypothetical protein	0.0367209	0.289078	0.114754
Schistosoma mansoni	tensin-related	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	hypothetical protein	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.0771889	0.688972	1
Echinococcus multilocularis		0.00884033	0.0135695	0.00320034
Brugia malayi	Protein kinase domain containing protein	0.0113223	0.0380956	0.0393976
Schistosoma mansoni	growth factor receptor-bound protein	0.0174612	0.0987588	0.128928
Echinococcus granulosus	tyrosine kinase	0.0113223	0.0380956	0.0393976
Chlamydia trachomatis	dihydrofolate reductase	0.0314751	0.23724	0.5
Echinococcus multilocularis	SHC transforming protein 3	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	dihydrofolate reductase	0.0314751	0.23724	0.333307
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus granulosus	mitogen activated protein kinase 14	0.0123843	0.0485898	0.0548855
Brugia malayi	SH2 domain containing protein	0.0113223	0.0380956	0.0393976
Brugia malayi	hypothetical protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	growth factor receptor-bound protein	0.0174612	0.0987588	0.128928
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0123843	0.0485898	0.0548855
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0771889	0.688972	1
Echinococcus multilocularis	tensin	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	thymidylate synthase	0.0771889	0.688972	1
Onchocerca volvulus		0.00884033	0.0135695	0.0196952
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.00866623	0.011849	0.0171981
Echinococcus granulosus	SH2 domain containing protein 7	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	SH2 motif	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	tyrosine kinase	0.0113223	0.0380956	0.0393976
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0367209	0.289078	0.289078
Echinococcus multilocularis	thymidylate synthase	0.0771889	0.688972	1
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	dihydrofolate reductase	0.0314751	0.23724	0.333307
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.108664	1	1
Echinococcus granulosus	dihydrofolate reductase	0.0314751	0.23724	0.333307
Brugia malayi	STAT protein, DNA binding domain containing protein	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	signal transduction protein lnk realted	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0113223	0.0380956	0.0393976
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0113223	0.0380956	0.0393976
Loa Loa (eye worm)	hypothetical protein	0.0174612	0.0987588	0.128928
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0199432	0.123285	0.165125
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0199432	0.123285	0.165125
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0199432	0.123285	0.165125
Brugia malayi	hypothetical protein	0.0367209	0.289078	0.409813
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0199432	0.123285	0.165125
Brugia malayi	Protein kinase domain containing protein	0.0113223	0.0380956	0.0393976
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.0113223	0.0380956	0.0552935
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0113223	0.0380956	0.0393976
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0771889	0.688972	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.00884033	0.0135695	0.00320034
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Brugia malayi	cytokine inducible SH2-containing protein 5	0.00884033	0.0135695	0.00320034
Trypanosoma brucei	conserved protein	0.00862089	0.011401	0.011401
Loa Loa (eye worm)	SRC-1	0.0199432	0.123285	0.165125
Echinococcus multilocularis	NCK adaptor protein	0.0174612	0.0987588	0.128928
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Trypanosoma cruzi	hypothetical protein, conserved	0.00862089	0.011401	0.011401
Loa Loa (eye worm)	SH2 domain-containing protein	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.00862089	0.011401	0.0165478
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0199432	0.123285	0.165125
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.00884033	0.0135695	0.00320034
Brugia malayi	SRC-1	0.0199432	0.123285	0.165125
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.108664	1	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0113223	0.0380956	0.0393976
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.108664	1	0.5
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	SH2 domain-containing protein	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.00884033	0.0135695	0.0196952
Brugia malayi	Tensin	0.00884033	0.0135695	0.00320034
Brugia malayi	Protein kinase domain containing protein	0.0113223	0.0380956	0.0393976
Brugia malayi	dihydrofolate reductase family protein	0.0314751	0.23724	0.333307
Echinococcus multilocularis	signal transduction protein lnk realted	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0199432	0.123285	0.165125
Onchocerca volvulus		0.00884033	0.0135695	0.0196952
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	signal transduction protein lnk-related	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	SH2 domain-containing protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0199432	0.123285	0.165125
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0123843	0.0485898	0.0485898
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0174612	0.0987588	0.128928
Echinococcus granulosus	tyrosine protein kinase shark	0.0113223	0.0380956	0.0393976
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Trypanosoma cruzi	hypothetical protein, conserved	0.00862089	0.011401	0.011401
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0199432	0.123285	0.165125
Onchocerca volvulus		0.00884033	0.0135695	0.0196952
Schistosoma mansoni	tensin	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	N chimaerin	0.00884033	0.0135695	0.00320034
Brugia malayi	hypothetical protein	0.0113223	0.0380956	0.0393976
Trypanosoma cruzi	paraflagellar rod protein 5, putative	0.00862089	0.011401	0.011401
Brugia malayi	Protein kinase domain containing protein	0.0113223	0.0380956	0.0393976
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.108664	1	1
Echinococcus granulosus	thymidylate synthase	0.0771889	0.688972	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0199432	0.123285	0.165125
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0123843	0.0485898	0.0548855
Echinococcus multilocularis	SH2 motif	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0199432	0.123285	0.165125
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0199432	0.123285	0.165125
Echinococcus granulosus	expressed conserved protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.0113223	0.0380956	0.0552935
Echinococcus multilocularis	tyrosine protein kinase shark	0.0113223	0.0380956	0.0393976
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0113223	0.0380956	1
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.00884033	0.0135695	0.00320034
Onchocerca volvulus		0.0113223	0.0380956	0.0552935
Echinococcus granulosus	SH2 domain containing adapter protein F	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tyrosine kinase	0.0113223	0.0380956	0.0393976
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0123843	0.0485898	0.0485898
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.00884033	0.0135695	0.00320034
Onchocerca volvulus	LIM and SH3 domain protein homolog	0.00862089	0.011401	0.0165478
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0199885	0.123733	0.165786
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0771889	0.688972	1
Onchocerca volvulus		0.00862089	0.011401	0.0165478
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Trypanosoma cruzi	hypothetical protein, conserved	0.00862089	0.011401	0.011401
Schistosoma mansoni	tensin	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	GTPase activating protein	0.00884033	0.0135695	0.00320034
Brugia malayi	SH2 domain containing protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	suppressor of cytokine signaling	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	SH2 motif	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	hypothetical protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	hypothetical protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0123843	0.0485898	0.0548855
Echinococcus multilocularis	tyrosine kinase	0.0113223	0.0380956	0.0393976
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.00884033	0.0135695	0.0196952
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0199432	0.123285	0.165125
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0113223	0.0380956	0.0393976
Schistosoma mansoni	suppressor of cytokine signaling	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Brugia malayi	Variant SH3 domain containing protein	0.0174612	0.0987588	0.128928
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0199432	0.123285	0.165125
Onchocerca volvulus		0.00884033	0.0135695	0.0196952
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0113223	0.0380956	0.0393976
Brugia malayi	Dihydrofolate reductase	0.0314751	0.23724	0.333307
Onchocerca volvulus		0.0113223	0.0380956	0.0552935
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Schistosoma mansoni	tyrosine kinase	0.0199432	0.123285	0.165125
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0174612	0.0987588	0.128928
Schistosoma mansoni	tyrosine kinase	0.0113223	0.0380956	0.0393976
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Loa Loa (eye worm)	TK/ABL protein kinase	0.0113223	0.0380956	0.0393976
Mycobacterium ulcerans	thymidylate synthase	0.0771889	0.688972	1
Echinococcus granulosus	tensin	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.00884033	0.0135695	0.00320034
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.00884033	0.0135695	0.00320034
Onchocerca volvulus	Putative cortactin	0.00862089	0.011401	0.0165478
Echinococcus granulosus	tyrosine protein kinase Srms	0.0113223	0.0380956	0.0393976
Onchocerca volvulus		0.00884033	0.0135695	0.0196952
Brugia malayi	tRNA modification GTPase TrmE family protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0199432	0.123285	0.165125
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0123843	0.0485898	0.0485898
Schistosoma mansoni	tensin	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0199432	0.123285	0.165125
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.00888567	0.0140175	0.0980152
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0199432	0.123285	0.165125
Loa Loa (eye worm)	hypothetical protein	0.00884033	0.0135695	0.00320034
Echinococcus multilocularis	tensin	0.00884033	0.0135695	0.00320034
Brugia malayi	Sex muscle abnormal protein 5	0.0174612	0.0987588	0.128928
Brugia malayi	protein-tyrosine kinase	0.0113223	0.0380956	0.0393976
Echinococcus multilocularis	SH2 domain containing protein 7	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tyrosine protein kinase Src42A	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0199432	0.123285	0.165125
Brugia malayi	Protein kinase domain containing protein	0.0113223	0.0380956	0.0393976
Brugia malayi	Variant SH3 domain containing protein	0.00884033	0.0135695	0.00320034
Entamoeba histolytica	protein kinase, putative	0.00888567	0.0140175	0.0980152
Onchocerca volvulus		0.0113223	0.0380956	0.0552935
Schistosoma mansoni	adapter molecule crk	0.0174612	0.0987588	0.128928
Echinococcus granulosus	suppressor of cytokine signaling 6	0.00884033	0.0135695	0.00320034
Echinococcus granulosus	mitogen activated protein kinase 11	0.0123843	0.0485898	0.0548855
Brugia malayi	P38 map kinase family protein 2	0.0123843	0.0485898	0.0548855
Loa Loa (eye worm)	TK/FER protein kinase	0.0113223	0.0380956	0.0393976
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0199432	0.123285	0.165125
Brugia malayi	thymidylate synthase	0.0771889	0.688972	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0174612	0.0987588	0.128928
Brugia malayi	Variant SH3 domain containing protein	0.00884033	0.0135695	0.00320034
Entamoeba histolytica	SH2 domain containing protein	0.00884033	0.0135695	0.0812319
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0123843	0.0485898	0.0548855
Echinococcus multilocularis	c src tyrosine kinase	0.0199432	0.123285	0.165125
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0113223	0.0380956	0.0393976
Brugia malayi	SH2 domain containing protein	0.0113223	0.0380956	0.0393976
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0123843	0.0485898	0.0548855
Leishmania major	hypothetical protein, conserved	0.00862089	0.011401	0.011401

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antifungal activity against Candida albicans ATCC 90028 at 20 ug/mL after 18 to 24 hrs	ChEMBL.	17084633
Activity (ADMET)	0	Cytotoxicity against Vero cells upto 23.8 ng/ml by neutral red assay	ChEMBL.	17084633
Activity (functional)	0	Antibacterial activity against Mycobacterium intracellulare ATCC 23068 at 20 ug/mL after 68 to 72 hrs	ChEMBL.	17084633
Activity (functional)	0	Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 43300 at 20 ug/mL after 18 to 24 hrs	ChEMBL.	17084633
Activity (functional)	0	Antifungal activity against Candida albicans ATCC 90028 at 20 ug/mL after 18 to 24 hrs	ChEMBL.	17084633
Activity (functional)	0	Antifungal activity against Candida glabrata ATCC 90030 at 20 ug/mL after 18 to 24 hrs	ChEMBL.	17084633
Activity (functional)	0	Antifungal activity against Aspergillus fumigatus ATCC 90906 at 20 ug/mL after 68 to 72 hrs	ChEMBL.	17084633
Activity (ADMET)	0	Methemoglobin toxicity in human erythrocytes incubated with mouse liver microsomes assessed as MetHb formation at 20 ug/mL by biotransformation linked assay	ChEMBL.	17084633
IC50 (functional)	= 3300 ng/ml	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2	ChEMBL.	17084633
IC50 (functional)	= 3300 ng/ml	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2	ChEMBL.	17084633
IC50 (functional)	= 3700 ng/ml	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6	ChEMBL.	17084633
IC50 (functional)	= 3700 ng/ml	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6	ChEMBL.	17084633
IC50 (functional)	= 3.5 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 68 to 72 hrs	ChEMBL.	17084633
IC50 (functional)	= 3.5 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 68 to 72 hrs	ChEMBL.	17084633
IC50 (functional)	= 4.2 ug ml-1	Antileishmenial activity against Leishmania donovani promastigotes by Alamar blue assay	ChEMBL.	17084633
IC50 (functional)	= 4.2 ug ml-1	Antileishmenial activity against Leishmania donovani promastigotes by Alamar blue assay	ChEMBL.	17084633
IC50 (functional)	= 6.5 ug ml-1	Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 43300 after 18 to 24 hrs	ChEMBL.	17084633
IC50 (functional)	= 15 ug ml-1	Antifungal activity against Candida glabrata ATCC 90030 after 18 to 24 hrs	ChEMBL.	17084633
IC50 (functional)	= 15 ug ml-1	Antifungal activity against Candida krusei ATCC 6258 after 18 to 24 hrs	ChEMBL.	17084633
IC90 (functional)	= 26 ug ml-1	Antileishmenial activity against Leishmania donovani promastigotes by Alamar blue assay	ChEMBL.	17084633
IC90 (functional)	= 26 ug ml-1	Antileishmenial activity against Leishmania donovani promastigotes by Alamar blue assay	ChEMBL.	17084633
MBC (functional)	= 20 ug ml-1	Antifungal activity against Candida krusei ATCC 6258 after 18 to 24 hrs	ChEMBL.	17084633
MFC (functional)	= 5 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 68 to 72 hrs	ChEMBL.	17084633
MFC (functional)	= 5 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 68 to 72 hrs	ChEMBL.	17084633
MIC (functional)	= 5 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 68 to 72 hrs	ChEMBL.	17084633
MIC (functional)	= 5 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 68 to 72 hrs	ChEMBL.	17084633
MIC (functional)	= 10 ug ml-1	Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 43300 after 18 to 24 hrs	ChEMBL.	17084633
MIC (functional)	= 20 ug ml-1	Antifungal activity against Candida krusei ATCC 6258 after 18 to 24 hrs	ChEMBL.	17084633
Selectivity index (functional)	> 6.4	Selectivity index, Ratio of IC50 in Vero cells to IC50 in chloroquine-sensitive Plasmodium falciparum D6	ChEMBL.	17084633
Selectivity index (functional)	> 10.8	Selectivity index, Ratio of IC50 in Vero cells to IC50 in chloroquine-resistant Plasmodium falciparum W2	ChEMBL.	17084633

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference
Leishmania donovani	ChEMBL23	17084633
Plasmodium falciparum	ChEMBL23	17084633
Cryptococcus neoformans	ChEMBL23	17084633

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: CHEMBL228252

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 421773