TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 269.338 | Formula: C17H19NO2
H donors: 3 H acceptors: 2 LogP: 2.89 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)[C@H]1CNCCc2c1cc(O)c(c2)O
InChi: 1S/C17H19NO2/c1-11-3-2-4-12(7-11)15-10-18-6-5-13-8-16(19)17(20)9-14(13)15/h2-4,7-9,15,18-20H,5-6,10H2,1H3/t15-/m1/s1
InChiKey: WDOYOIUIRFMZEZ-OAHLLOKOSA-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
Onchocerca volvulus		0.1541	1	1
Echinococcus granulosus	hexokinase	0.1541	1	1
Trypanosoma cruzi	Protein kinase B	0.0048	0.0273	0.0028
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0023	0.0111	0.0111
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0016	0.0016
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0051	0.0295	0.005
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0016	0.0016
Onchocerca volvulus		0.1541	1	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0023	0.0111	0.0111
Echinococcus multilocularis	hexokinase	0.1541	1	1
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0007	0.0006	0.0006
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0016	0.0016
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0051	0.0295	0.005
Loa Loa (eye worm)	hexokinase	0.1541	1	1
Leishmania major	protein kinase A catalytic subunit	0.0051	0.0295	0.0289
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0016	0.0016
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0111	0.0111
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0016	0.0016
Echinococcus granulosus	hexokinase	0.1541	1	1
Brugia malayi	protein kinase C II.	0.0023	0.0111	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0111	0.24
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.005	0.0287	0.0287
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0051	0.0295	0.0289
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0043	0.0245	0.0245
Onchocerca volvulus	Hexokinase homolog	0.0967	0.626	0.6245
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0016	0.0016
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0023	0.0111	0.0111
Echinococcus granulosus	NDR protein kinase	0.0023	0.0111	0.0111
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0016	0.0016
Schistosoma mansoni	serine/threonine protein kinase	0.0007	0.0006	0.0006
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0051	0.0295	0.0295
Schistosoma mansoni	60S ribosomal protein L21	0.0006	0.0005	0.0005
Entamoeba histolytica	protein kinase 2, putative	0.0043	0.0245	0.0136
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.049	0.3154	0.3154
Loa Loa (eye worm)	hexokinase type II	0.1541	1	1
Onchocerca volvulus		0.1541	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0041	0.023	0.023
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0119	0.0738	0.0738
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0016	0.0016
Echinococcus granulosus	hexokinase type 2	0.1541	1	1
Echinococcus granulosus	protein kinase C gamma type	0.0023	0.0111	0.0111
Onchocerca volvulus		0.0967	0.626	0.6245
Trichomonas vaginalis	AGC family protein kinase	0.0027	0.0138	0.3092
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0194	0.0194
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0042	0.0237	0.0237
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0023	0.0111	0.0111
Trypanosoma cruzi	hexokinase, putative	0.1541	1	1
Echinococcus multilocularis	rho associated protein kinase	0.0062	0.0365	0.0365
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0295	0.7024
Giardia lamblia	Kinase, AGC PKA	0.0051	0.0295	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0212	0.4946
Brugia malayi	p70 ribosomal S6 kinase beta	0.0065	0.0386	0.0386
Trypanosoma cruzi	hexokinase, putative	0.1541	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0111	0.24
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.004	0.004
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.004	0.004
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0189	0.1196	0.1196
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0016	0.0016
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0023	0.0111	0.0111
Schistosoma mansoni	hexokinase	0.1541	1	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0022	0.0103	0.2195
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.0322	0.0214
Echinococcus granulosus	protein kinase c epsilon type	0.0023	0.0111	0.0111
Schistosoma mansoni	protein phosphatase 1 inhibitor potentiated by protein kinase C	0.0012	0.004	0.004
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0295	0.0295
Echinococcus multilocularis	rac serine:threonine kinase	0.0048	0.0273	0.0273
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0069	0.0413	0.0122
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.004	0.004
Echinococcus multilocularis	hexokinase type 2	0.1541	1	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0048	0.0273	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0012	0.004	0.004
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0051	0.0295	0.0289
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Brugia malayi	Hexokinase family protein	0.0967	0.626	0.626
Echinococcus granulosus	PKC activated phosphatase 1 inhibitor	0.0012	0.004	0.004
Echinococcus multilocularis	nervana 2	0.0042	0.0237	0.0237
Echinococcus multilocularis	nervana 2	0.0042	0.0237	0.0237
Schistosoma mansoni	serine/threonine kinase	0.0023	0.0111	0.0111
Echinococcus multilocularis	protein kinase c epsilon type	0.0023	0.0111	0.0111
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0008	0.0016	0.0016
Echinococcus granulosus	serine threonine protein kinase nrc	0.0043	0.0245	0.0245
Toxoplasma gondii	AGC kinase	0.0065	0.0386	0.038
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0007	0.0006	0.0006
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0365	0.0365
Brugia malayi	Hr1 repeat family protein	0.0023	0.0111	0.0111
Echinococcus multilocularis	protein kinase c iota type	0.0023	0.0111	0.0111
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0023	0.0111	0.0111
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0016	0.0016
Trypanosoma brucei	hexokinase	0.1541	1	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0023	0.0111	0.0111
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0023	0.0111	0.0111
Loa Loa (eye worm)	hexokinase	0.0967	0.626	0.626
Loa Loa (eye worm)	hexokinase	0.0477	0.3068	0.3068
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.004	0.004
Echinococcus granulosus	Glutaredoxin protein 5	0.0042	0.0237	0.0237
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0254	0.0254
Echinococcus multilocularis	expressed conserved protein	0.0007	0.0006	0.0006
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0043	0.0245	0.0239
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0023	0.0111	0.0111
Echinococcus granulosus	nervana 2	0.0042	0.0237	0.0237
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0023	0.0111	0.0111
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0254	0.0254
Brugia malayi	Protein kinase domain containing protein	0.0069	0.0413	0.0413
Echinococcus multilocularis	PKC activated phosphatase 1 inhibitor	0.0012	0.004	0.004
Brugia malayi	hexokinase type II	0.049	0.3154	0.3154
Echinococcus multilocularis	hexokinase	0.1541	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0016	0.0016
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0041	0.023	0.023
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0042	0.0237	0.0237
Plasmodium vivax	hexokinase, putative	0.1541	1	1
Leishmania major	hexokinase, putative	0.1541	1	1
Trypanosoma brucei	hexokinase, putative	0.1541	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0051	0.0295	0.0289
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0016	0.0016
Echinococcus multilocularis	serine threonine protein kinase	0.0023	0.0111	0.0111
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0008	0.0016	0.0016
Loa Loa (eye worm)	hexokinase	0.1541	1	1
Entamoeba histolytica	protein kinase, putative	0.0065	0.0386	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0111	0.0111
Echinococcus granulosus	hexokinase	0.1541	1	1
Brugia malayi	hypothetical protein	0.0012	0.004	0.004
Schistosoma mansoni	serine/threonine-protein kinase	0.0048	0.0273	0.0273
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0008	0.0016	0.0016
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0023	0.0111	0.0111
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0016	0.0016
Entamoeba histolytica	protein kinase, putative	0.0069	0.0413	0.0305
Onchocerca volvulus		0.006	0.0357	0.0318
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0023	0.0111	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0295	0.0295
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0051	0.0295	0.0289
Leishmania major	hexokinase, putative	0.1541	1	1
Brugia malayi	Egg laying defective protein 4	0.0007	0.0006	0.0006
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0111	0.24
Echinococcus multilocularis	hexokinase	0.1541	1	1
Plasmodium falciparum	hexokinase	0.1541	1	1
Schistosoma mansoni	atypical protein kinase C	0.0023	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0007	0.0006	0.0006
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0007	0.0006	0.0006
Entamoeba histolytica	protein kinase, putative	0.0069	0.0413	0.0305
Echinococcus granulosus	nervana 2	0.0042	0.0237	0.0237
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0007	0.0006	0.0006
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0069	0.0413	0.0413
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0008	0.0016	0.0016
Toxoplasma gondii	hexokinase	0.1541	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0023	0.0111	0.0111
Schistosoma mansoni	serine/threonine-protein kinase	0.0048	0.0273	0.0273
Trypanosoma brucei	hexokinase	0.1541	1	1
Toxoplasma gondii	AGC kinase	0.0051	0.0295	0.0289
Echinococcus multilocularis	Glutaredoxin protein 5	0.0042	0.0237	0.0237
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0051	0.0295	0.0295
Entamoeba histolytica	hexokinase 2	0.1541	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.004	0.004
Toxoplasma gondii	AGC kinase	0.0051	0.0295	0.0289
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0007	0.0006	0.0006
Brugia malayi	Hexokinase family protein	0.0477	0.3068	0.3068
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0065	0.0386	0.0386
Schistosoma mansoni	protein kinase	0.0119	0.0738	0.0738
Onchocerca volvulus		0.0062	0.0365	0.0326
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0051	0.0295	0.005
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.0322	0.0214
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0119	0.0738	0.0738
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.005	0.0287	0.0287
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0051	0.0295	0.005
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0007	0.0006	0.0006
Treponema pallidum	hexokinase (hxk)	0.1541	1	0.5
Brugia malayi	Hexokinase family protein	0.1541	1	1
Schistosoma mansoni	protein kinase	0.0119	0.0738	0.0738
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0016	0.0016
Echinococcus granulosus	protein kinase c iota type	0.0023	0.0111	0.0111
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0023	0.0111	0.0111
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0041	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.1051	0.6809	0.6809
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0051	0.0295	0.005
Entamoeba histolytica	hexokinase 1	0.1541	1	1
Brugia malayi	Protein kinase domain containing protein	0.0023	0.0111	0.0111
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0016	0.0016
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.004	0.004
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0051	0.0295	0.0295
Schistosoma mansoni	voltage-gated potassium channel	0.0006	0.0005	0.0005
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0048	0.0273	0.0164
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0023	0.0111	0.0111
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0023	0.0111	0.0111
Echinococcus granulosus	cGMP dependent protein kinase	0.0007	0.0006	0.0006
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0048	0.0273	0.0028
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0041	0.023	0.023
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.004	0.004
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0295	0.0295
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0023	0.0111	0.0111
Echinococcus granulosus	rho-associated protein kinase 1	0.0062	0.0365	0.0365
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0043	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.049	0.3154	0.3154
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0051	0.0295	0.0295
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0023	0.0111	0.0111
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.0212	0.4946
Brugia malayi	Protein kinase domain containing protein	0.0189	0.1196	0.1196
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.004	0.004
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0016	0.0016
Trichomonas vaginalis	AGC family protein kinase	0.0069	0.0413	1
Echinococcus granulosus	serine/threonine protein kinase	0.0048	0.0273	0.0273
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0295	0.0295
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0111	0.0111

Activities

Activity type	Activity value	Assay description	Source	Reference
Response (binding)	= 71 %	Effective concentration required to stimulate Adenylate cyclase	ChEMBL.	1973733
Response (binding)	= 71 %	Effective concentration required to stimulate Adenylate cyclase	ChEMBL.	1973733

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 115375