TDR Targets

Basic information

Technical information

TDR Targets ID: 1263802
Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(2 -methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan e-1,4-dione
MW: 421.532 | Formula: C25H31N3O3
H donors: 0 H acceptors: 2 LogP: 3.15 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC1Oc2ccccc2N(C1)C(=O)CCC(=O)N1CCN(CC1)c1cccc(c1C)C
InChi: 1S/C25H31N3O3/c1-18-7-6-9-21(20(18)3)26-13-15-27(16-14-26)24(29)11-12-25(30)28-17-19(2)31-23-10-5-4-8-22(23)28/h4-10,19H,11-17H2,1-3H3
InChiKey: DUMZTTHGSSZPIP-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

1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butane-1,4-dione

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	epidermal growth factor receptor	0.0954	0.3232	0.8923
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0051	0.0027	0.0076
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0042	0.003
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0051	0.0027	0.0076
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0098	0.0195	0.0537
Loa Loa (eye worm)	AUR protein kinase	0.0365	0.1142	0.1132
Echinococcus granulosus	Immunoglobulin	0.0059	0.0054	0.0149
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0365	0.1142	1
Onchocerca volvulus		0.0312	0.0955	0.2714
Loa Loa (eye worm)	TK/ABL protein kinase	0.0051	0.0027	0.0016
Echinococcus multilocularis	insulin receptor	0.0314	0.0962	0.2656
Echinococcus multilocularis	tyrosine kinase	0.0051	0.0027	0.0076
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0312	0.0955	0.2636
Echinococcus multilocularis	roundabout 2	0.0093	0.0175	0.0483
Echinococcus multilocularis	epidermal growth factor receptor	0.0519	0.1689	0.4662
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.1014	0.3445	0.9511
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0314	0.0962	0.2656
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.012	0.0273	0.0262
Trypanosoma brucei	aurora B kinase	0.0365	0.1142	1
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0027	0.0027
Schistosoma mansoni	hypothetical protein	0.0098	0.0195	0.0565
Leishmania major	protein kinase, putative	0.0365	0.1142	1
Onchocerca volvulus		0.0928	0.314	0.9107
Echinococcus granulosus	tyrosine protein kinase shark	0.0051	0.0027	0.0076
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0111	0.0239	0.0661
Brugia malayi	Protein kinase domain containing protein	0.1014	0.3445	0.3445
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0051	0.0027	0.0076
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0059	0.0054	0.0156
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.114	0.9986
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0098	0.0195	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0175	0.0164
Echinococcus multilocularis	neuroglian	0.0074	0.0107	0.0296
Brugia malayi	P21-Rho-binding domain containing protein	0.0098	0.0195	0.0195
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.1014	0.3445	0.3445
Echinococcus multilocularis		0.0291	0.0878	0.2425
Echinococcus granulosus	defective proboscis extension response	0.0059	0.0054	0.0149
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.1014	0.3445	0.3438
Schistosoma mansoni	tyrosine kinase	0.0051	0.0027	0.0079
Schistosoma mansoni	tyrosine kinase	0.0051	0.0027	0.0079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0042	0.0121
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0059	0.0054	0.0054
Echinococcus granulosus	tyrosine kinase	0.0051	0.0027	0.0076
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0365	0.1142	0.3153
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0122	0.011
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0111	0.0239	0.0661
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0051	0.0027	0.0076
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0967	0.3278	0.3278
Schistosoma mansoni	hypothetical protein	0.0082	0.0138	0.04
Trichomonas vaginalis	STE family protein kinase	0.0111	0.0239	0.0472
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.114	0.9986
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.1014	0.3445	0.9511
Schistosoma mansoni	tyrosine kinase	0.05	0.1619	0.47
Schistosoma mansoni	tyrosine kinase	0.05	0.1619	0.47
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0027	0.0027
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.0458	0.3865
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0312	0.0955	0.7264
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0312	0.0955	0.2772
Echinococcus multilocularis	aurora kinase A	0.0365	0.1142	0.3153
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0054	0.0042
Echinococcus granulosus	tyrosine protein kinase Blk	0.0051	0.0027	0.0076
Entamoeba histolytica	protein kinase domain containing protein	0.0365	0.1142	1
Brugia malayi	Fibronectin type III domain containing protein	0.0059	0.0054	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0365	0.1142	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0027	0.0016
Brugia malayi	Furin-like cysteine rich region family protein	0.0954	0.3232	0.3232
Entamoeba histolytica	protein kinase domain containing protein	0.0312	0.0955	0.8362
Echinococcus multilocularis	tyrosine protein kinase shark	0.0051	0.0027	0.0076
Echinococcus multilocularis	Immunoglobulin	0.0059	0.0054	0.0149
Entamoeba histolytica	protein kinase domain containing protein	0.0312	0.0955	0.8362
Schistosoma mansoni	serine/threonine protein kinase	0.1014	0.3445	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0051	0.0027	0.0076
Toxoplasma gondii	aurora kinase	0.0365	0.1142	1
Schistosoma mansoni	tyrosine kinase	0.0051	0.0027	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0054	0.0042
Schistosoma mansoni	tyrosine kinase	0.0118	0.0264	0.0766
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0051	0.0027	0.0076
Echinococcus granulosus	insulin receptor	0.0314	0.0962	0.2656
Schistosoma mansoni	serine/threonine protein kinase	0.0118	0.0264	0.0766
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0098	0.0195	0.0537
Entamoeba histolytica	p21-activated kinase	0.0111	0.0239	0.2096
Echinococcus granulosus	epidermal growth factor receptor	0.0954	0.3232	0.8923
Echinococcus granulosus	PAK box P21 Rho binding	0.0098	0.0195	0.0537
Schistosoma mansoni	protein kinase	0.0098	0.0195	0.0565
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0051	0.0027	0.0076
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0051	0.0027	0.0079
Giardia lamblia	Kinase, CMGC GSK	0.0312	0.0955	0.7928
Brugia malayi	serine/threonine kinase 12	0.0365	0.1142	0.1142
Brugia malayi	SH2 domain containing protein	0.0051	0.0027	0.0027
Onchocerca volvulus		0.087	0.2933	0.8501
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0059	0.0054	0.0156
Brugia malayi	hypothetical protein	0.0059	0.0054	0.0054
Schistosoma mansoni	tyrosine kinase	0.0051	0.0027	0.0079
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.1162	0.3971	0.3964
Echinococcus granulosus	tyrosine protein kinase Srms	0.0051	0.0027	0.0076
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0312	0.0955	0.0945
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.2861	1	1
Schistosoma mansoni	tyrosine kinase	0.0314	0.0962	0.2793
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0098	0.0195	0.0565
Schistosoma mansoni	tyrosine kinase	0.0051	0.0027	0.0079
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0027	0.0027
Entamoeba histolytica	hypothetical protein	0.0098	0.0195	0.1704
Schistosoma mansoni	vesicular amine transporter	0.0059	0.0054	0.0156
Echinococcus multilocularis	PAK box P21 Rho binding	0.0111	0.0239	0.0661
Brugia malayi	P21-Rho-binding domain containing protein	0.0098	0.0195	0.0195
Schistosoma mansoni	tyrosine kinase	0.0051	0.0027	0.0079
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0051	0.0027	0.0076
Giardia lamblia	Kinase, CMGC GSK	0.0312	0.0955	0.7928
Echinococcus multilocularis	Immunoglobulin	0.0059	0.0054	0.0149
Schistosoma mansoni	nephrin	0.0074	0.0107	0.0311
Loa Loa (eye worm)	hypothetical protein	0.012	0.0273	0.0262
Trypanosoma cruzi	aurora B kinase, putative	0.0365	0.1142	1
Trichomonas vaginalis	AGC family protein kinase	0.0365	0.1142	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.3322	0.9171
Echinococcus granulosus	epidermal growth factor receptor	0.0519	0.1689	0.4662
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0051	0.0027	0.0076
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0042	0.0116
Brugia malayi	Protein kinase domain	0.0111	0.0239	0.0239
Schistosoma mansoni	hypothetical protein	0.0098	0.0195	0.0565
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0051	0.0027	0.0076
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0111	0.0239	0.0661
Trichomonas vaginalis	AGC family protein kinase	0.0365	0.1142	1
Brugia malayi	SH2 domain containing protein	0.0051	0.0027	0.0027
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0365	0.1142	1
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0027	0.0027
Schistosoma mansoni	tyrosine kinase	0.0519	0.1689	0.4901
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0059	0.0054	0.0149
Trichomonas vaginalis	STE family protein kinase	0.0111	0.0239	0.0472
Schistosoma mansoni	protein kinase	0.0111	0.0239	0.0695
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.0528	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0051	0.0027	0.0076
Schistosoma mansoni	tyrosine kinase	0.0314	0.0962	0.2793
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0312	0.0955	0.0945
Entamoeba histolytica	protein kinase , putative	0.0365	0.1142	1
Brugia malayi	Protein kinase domain containing protein	0.0314	0.0962	0.0962
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.114	0.9977
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.0458	0.3865
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0314	0.0962	0.2656
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0051	0.0027	0.0076
Echinococcus multilocularis	protein kinase shaggy	0.0312	0.0955	0.2636
Schistosoma mansoni	protein kinase	0.0365	0.1142	0.3315
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0044	0.0003	0.0024
Loa Loa (eye worm)	AUR protein kinase	0.0365	0.1142	0.1132
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0042	0.0121
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0365	0.1142	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0195	0.0183
Entamoeba histolytica	protein kinase, putative	0.0365	0.1142	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0314	0.0962	0.0952
Entamoeba histolytica	protein kinase, putative	0.0111	0.0239	0.2096
Brugia malayi	Tyrosine-protein kinase abl-1	0.0051	0.0027	0.0027
Brugia malayi	Calcitonin receptor-like protein seb-1	0.012	0.0273	0.0273
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0027	0.0027
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Entamoeba histolytica	protein kinase, putative	0.0365	0.1142	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Brugia malayi	protein-tyrosine kinase	0.0051	0.0027	0.0027
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Schistosoma mansoni	tyrosine kinase	0.05	0.1619	0.47
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.1064	0.3622	1
Mycobacterium ulcerans	hypothetical protein	0.0192	0.0528	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0082	0.0138	0.0138
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0365	0.1142	1
Trichomonas vaginalis	AGC family protein kinase	0.0365	0.1142	1
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0111	0.0239	0.0661
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0312	0.0955	0.8322
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.1014	0.3445	0.3438
Echinococcus multilocularis	rho associated protein kinase	0.0928	0.314	0.8669
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0111	0.0239	0.0661
Echinococcus granulosus	roundabout 2	0.0093	0.0175	0.0483
Echinococcus multilocularis	c src tyrosine kinase	0.0051	0.0027	0.0076
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Echinococcus granulosus	rho-associated protein kinase 1	0.0928	0.314	0.8669
Brugia malayi	WH1 domain containing protein	0.0098	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0175	0.0164
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0051	0.0027	0.0076
Loa Loa (eye worm)	AUR protein kinase	0.0365	0.1142	0.1132
Trichomonas vaginalis	CMGC family protein kinase	0.0312	0.0955	0.8026
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0064	0.0072	0.0199
Entamoeba histolytica	protein kinase, putative	0.0111	0.0239	0.2096
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0054	0.0042
Echinococcus granulosus	twitchin	0.0086	0.0152	0.0419
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0051	0.0027	0.0076
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0042	0.0116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0042	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0054	0.0042
Trichomonas vaginalis	STE family protein kinase	0.0111	0.0239	0.0472
Trichomonas vaginalis	CMGC family protein kinase	0.0312	0.0955	0.8026
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0051	0.0027	0.0076
Entamoeba histolytica	hypothetical protein	0.0098	0.0195	0.1704
Schistosoma mansoni	hypothetical protein	0.0098	0.0195	0.0565
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.1014	0.3445	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0042	0.0042
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.114	0.9986
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0042	0.0116
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0312	0.0955	0.2636
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0365	0.1142	1
Entamoeba histolytica	protein kinase, putative	0.0111	0.0239	0.2096
Trypanosoma brucei	protein kinase, putative	0.0312	0.0955	0.8322
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0138	0.0127
Echinococcus granulosus	protein kinase shaggy	0.0312	0.0955	0.2636
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.0027	0.0016
Entamoeba histolytica	protein kinase, putative	0.0111	0.0239	0.2096
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0365	0.1142	0.3153
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0068	0.0357
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0078	0.0122	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0054	0.0042
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0051	0.0027	0.0076
Schistosoma mansoni	protein kinase	0.0111	0.0239	0.0695
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0967	0.3278	0.327
Schistosoma mansoni	serine/threonine protein kinase	0.0928	0.314	0.9114
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0051	0.0027	0.0076
Echinococcus granulosus	c src tyrosine kinase	0.0051	0.0027	0.0076
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0051	0.0027	0.0076
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0098	0.0195	0.0537
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.1064	0.3622	1
Brugia malayi	serine/threonine-protein kinase PAK 7	0.1162	0.3971	0.3971
Loa Loa (eye worm)	TK protein kinase	0.0051	0.0027	0.0016
Echinococcus multilocularis	PAK box P21 Rho binding	0.0098	0.0195	0.0537
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.012	0.0273	0.0273
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0954	0.3232	0.3224
Echinococcus granulosus	aurora kinase A	0.0365	0.1142	0.3153
Entamoeba histolytica	protein kinase, putative	0.0312	0.0955	0.8362
Onchocerca volvulus		0.0915	0.3095	0.8976
Giardia lamblia	Aurora kinase	0.0365	0.1142	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0042	0.0116
Trichomonas vaginalis	STE family protein kinase	0.0111	0.0239	0.0472
Trichomonas vaginalis	STE family protein kinase	0.0111	0.0239	0.0472
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0051	0.0027	0.024
Brugia malayi	SRC-1	0.0051	0.0027	0.0027
Schistosoma mansoni	tyrosine kinase	0.0954	0.3232	0.9382
Schistosoma mansoni	serine/threonine protein kinase	0.0365	0.1142	0.3315
Schistosoma mansoni	tyrosine kinase	0.0054	0.0036	0.0105
Brugia malayi	hypothetical protein	0.0051	0.0027	0.0027
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0051	0.0027	0.0076
Echinococcus granulosus	neuroglian	0.0074	0.0107	0.0296
Schistosoma mansoni	tyrosine kinase	0.0519	0.1689	0.4901
Brugia malayi	serine/threonine-protein kinase 6	0.0365	0.1142	0.1142
Entamoeba histolytica	protein kinase, putative	0.0044	0.0003	0.0024
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0312	0.0955	0.828
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0054	0.0042
Echinococcus granulosus	tyrosine kinase	0.0051	0.0027	0.0076
Brugia malayi	serine/threonine protein kinase 6	0.0365	0.1142	0.1142
Onchocerca volvulus	Tyrosine kinase homolog	0.0904	0.3055	0.8859
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0111	0.0239	0.0661
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0519	0.1689	0.4662
Loa Loa (eye worm)	SRC-1	0.0051	0.0027	0.0016
Schistosoma mansoni	cell adhesion molecule	0.0078	0.0122	0.0353
Brugia malayi	intracellular kinase	0.0312	0.0955	0.0955
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.0027	0.0076
Schistosoma mansoni	protein kinase	0.0111	0.0239	0.0695

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0891 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.1337 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.2993 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	9.1962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1361558

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1263802