TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.538 | Formula: C27H30N2O4
H donors: 1 H acceptors: 3 LogP: 3.35 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCC[C@@]1(CCN(C(=O)O1)[C@H](c1ccc(cc1)c1ccc(=O)n(c1)C)CC)c1ccccc1
InChi: 1S/C27H30N2O4/c1-3-24(21-11-9-20(10-12-21)22-13-14-25(31)28(2)19-22)29-17-15-27(16-18-30,33-26(29)32)23-7-5-4-6-8-23/h4-14,19,24,30H,3,15-18H2,1-2H3/t24-,27-/m0/s1
InChiKey: BVXDMTPIOHLIBK-IGKIAQTJSA-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	hydroxysteroid (11-beta) dehydrogenase 1	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable oxidoreductase	Get druggable targets OG5_132866	All targets in OG5_132866
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Mycobacterium ulcerans	short chain dehydrogenase	Get druggable targets OG5_132866	All targets in OG5_132866
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid (11-beta) dehydrogenase 1	292 aa	250 aa	24.8 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Arf GAP and Pleckstrin domain containing protein	0.0018	0.0172	0.0256
Echinococcus granulosus	serine/threonine protein kinase	0.0327	0.6712	1
Toxoplasma gondii	Oxysterol-binding protein	0.0018	0.0172	0.0179
Toxoplasma gondii	cytochrome p450 superfamily protein	0.002	0.0209	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0578	0.0578
Brugia malayi	Uncoordinated protein 104	0.0018	0.0172	0.0172
Mycobacterium leprae	Conserved hypothetical protein	0.002	0.0209	0.5
Toxoplasma gondii	AtPH1 family protein	0.0018	0.0172	0.0179
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0023	0.0266	0.1233
Leishmania major	hypothetical protein, conserved	0.0018	0.0172	0.0795
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0018	0.0172	0.0272
Brugia malayi	Cytochrome P450 family protein	0.002	0.0209	0.0209
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0155	0.3073	0.2952
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus granulosus	nervana 2	0.0305	0.623	0.9282
Echinococcus granulosus	cytohesin 1	0.0018	0.0172	0.0256
Echinococcus granulosus	oxysterol binding protein 3	0.0018	0.0172	0.0256
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Brugia malayi	Cytohesin 3	0.0018	0.0172	0.0172
Schistosoma mansoni	hypothetical protein	0.0018	0.0172	0.0256
Echinococcus multilocularis	beta 1 syntrophin	0.0018	0.0172	0.0256
Schistosoma mansoni	hypothetical protein	0.0018	0.0172	0.0256
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0023	0.0266	0.0145
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0483	1	1
Brugia malayi	Oxysterol-binding protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	myotubularin protein 13	0.0018	0.0172	0.0256
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0018	0.0172	0.0256
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0018	0.0172	0.0172
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0783	0.1166
Trypanosoma brucei	protein kinase, putative	0.0023	0.0266	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0023	0.0266	0.0277
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0327	0.6712	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0112	0.2161	0.2248
Brugia malayi	TBC domain containing protein	0.0018	0.0172	0.0172
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Leishmania major	folate/biopterin transporter, putative	0.0023	0.0266	0.1233
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.016	0.3167	0.3167
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.002	0.0209	0.0038
Echinococcus granulosus	protein kinase c epsilon type	0.016	0.3167	0.4719
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0018	0.0172	0.0172
Echinococcus granulosus	serine threonine protein kinase nrc	0.0309	0.6325	0.9423
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0018	0.0172	0.0272
Schistosoma mansoni	growth factor receptor-bound protein	0.0018	0.0172	0.0256
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0023	0.0266	0.0096
Trichomonas vaginalis	AGC family protein kinase	0.0178	0.3554	0.3442
Leishmania major	protein kinase, putative	0.0023	0.0266	0.1233
Trypanosoma brucei	cytochrome P450, putative	0.0059	0.1036	0.0879
Toxoplasma gondii	hypothetical protein	0.0018	0.0172	0.0179
Schistosoma mansoni	hypothetical protein	0.002	0.0209	0.0311
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Echinococcus granulosus	pdz domain containing protein	0.0018	0.0172	0.0256
Echinococcus multilocularis	actin binding protein anillin	0.0018	0.0172	0.0256
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Echinococcus multilocularis	Arf GAP and Pleckstrin domain containing protein	0.0018	0.0172	0.0256
Trypanosoma cruzi	NIMA-related kinase, putative	0.0023	0.0266	0.0145
Toxoplasma gondii	hypothetical protein	0.0018	0.0172	0.0179
Brugia malayi	Pleckstrin Homology Domain	0.0018	0.0172	0.0172
Brugia malayi	probable spectrin beta chain	0.0018	0.0172	0.0172
Echinococcus multilocularis	type II inositol 3,4 bisphosphate 4 phosphatase	0.0018	0.0172	0.0256
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.016	0.3167	0.4719
Echinococcus multilocularis	protein kinase c epsilon type	0.016	0.3167	0.4719
Trichomonas vaginalis	AGC family protein kinase	0.016	0.3167	0.3048
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.005	0.0074
Trichomonas vaginalis	CMGC family protein kinase	0.0112	0.2161	0.2024
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.005	0.005
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0309	0.6325	1
Brugia malayi	Hr1 repeat family protein	0.016	0.3167	0.3167
Echinococcus granulosus	Rho GTPase activating protein 24	0.0018	0.0172	0.0256
Schistosoma mansoni	zinc finger protein	0.0018	0.0172	0.0256
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.016	0.3167	0.4719
Leishmania major	cytochrome p450-like protein	0.002	0.0209	0.0967
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0018	0.0172	0.0256
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus granulosus	collagen type iv alpha 3 binding protein	0.0018	0.0172	0.0256
Schistosoma mansoni	serine/threonine-protein kinase	0.0327	0.6712	1
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Brugia malayi	Protein kinase domain containing protein	0.016	0.3167	0.3167
Echinococcus multilocularis	Pleckstrin domain containing protein, family B	0.0018	0.0172	0.0256
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Toxoplasma gondii	phosphatidylinositol transfer protein	0.0018	0.0172	0.0179
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.005	0.0074
Entamoeba histolytica	protein kinase, putative	0.016	0.3167	0.3048
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0266	0.0096
Echinococcus multilocularis	protein kinase c iota type	0.016	0.3167	0.4719
Schistosoma mansoni	rho gtpase activating protein	0.0018	0.0172	0.0256
Echinococcus multilocularis	nervana 2	0.0305	0.623	0.9282
Schistosoma mansoni	oxysterol-binding protein 1	0.0018	0.0172	0.0256
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.005	0.0074
Brugia malayi	Cytochrome P450 family protein	0.0059	0.1036	0.1036
Brugia malayi	Cytochrome P450 family protein	0.0043	0.0697	0.0697
Echinococcus multilocularis	ras specific guanine nucleotide releasing factor	0.0018	0.0172	0.0256
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0464	0.9613	0.9613
Echinococcus granulosus	Oxysterol binding protein 11	0.0018	0.0172	0.0256
Echinococcus multilocularis	oxysterol binding protein 3	0.0018	0.0172	0.0256
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0018	0.0172	0.0172
Schistosoma mansoni	zinc finger protein	0.0018	0.0172	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Echinococcus granulosus	oxysterol binding protein 1	0.0018	0.0172	0.0256
Echinococcus multilocularis	FERM and pleckstrin domain containing protein	0.0018	0.0172	0.0256
Loa Loa (eye worm)	cytochrome P450 family protein	0.0043	0.0697	0.0697
Echinococcus granulosus	nervana 2	0.0305	0.623	0.9282
Schistosoma mansoni	goodpasture antigen-binding protein	0.0018	0.0172	0.0256
Schistosoma mansoni	dynamin	0.0018	0.0172	0.0256
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.016	0.3167	0.4719
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0112	0.2161	0.322
Entamoeba histolytica	protein kinase, putative	0.0023	0.0266	0.0096
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0018	0.0172	0.0172
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0023	0.0266	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Brugia malayi	Variant SH3 domain containing protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	Ras associated and pleckstrin y	0.0018	0.0172	0.0256
Loa Loa (eye worm)	PH domain-containing protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	arf GAP with coiled coil, ANK repeat and PH	0.0018	0.0172	0.0256
Echinococcus granulosus	Pleckstrin domain containing protein family B	0.0018	0.0172	0.0256
Echinococcus multilocularis	Pleckstrin y	0.0018	0.0172	0.0256
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0023	0.0266	0.1233
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Brugia malayi	intracellular kinase	0.0112	0.2161	0.2161
Echinococcus granulosus	NDR protein kinase	0.016	0.3167	0.4719
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0112	0.2161	0.3233
Echinococcus multilocularis	Oxysterol binding protein 11	0.0018	0.0172	0.0256
Echinococcus granulosus	oxysterol binding protein 9	0.0018	0.0172	0.0256
Entamoeba histolytica	protein kinase 2, putative	0.0309	0.6325	0.6261
Echinococcus multilocularis	Glutaredoxin protein 5	0.0305	0.623	0.9282
Mycobacterium tuberculosis	Probable oxidoreductase	0.0338	0.6938	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Schistosoma mansoni	syntrophin	0.0018	0.0172	0.0256
Schistosoma mansoni	atypical protein kinase C	0.016	0.3167	0.4719
Brugia malayi	Variant SH3 domain containing protein	0.0018	0.0172	0.0172
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.005	0.0074
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0023	0.0266	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.016	0.3167	0.3167
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus granulosus	Pleckstrin y	0.0018	0.0172	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Echinococcus granulosus	serine:threonine protein kinase N2	0.016	0.3167	0.4719
Echinococcus granulosus	arf GAP with coiled coil ANK repeat and PH	0.0018	0.0172	0.0256
Schistosoma mansoni	vav2	0.0018	0.0172	0.0256
Echinococcus multilocularis	dynamin 1	0.0018	0.0172	0.0256
Echinococcus granulosus	protein kinase c iota type	0.016	0.3167	0.4719
Echinococcus granulosus	type II inositol 34 bisphosphate 4 phosphatase	0.0018	0.0172	0.0256
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0112	0.2161	0.322
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0327	0.6712	0.6655
Echinococcus granulosus	pleckstrin y domain containing family A	0.0018	0.0172	0.0256
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0309	0.6325	0.9423
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Trichomonas vaginalis	AGC family protein kinase	0.016	0.3167	0.3048
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus granulosus	ras specific guanine nucleotide releasing factor	0.0018	0.0172	0.0256
Loa Loa (eye worm)	hypothetical protein	0.016	0.3167	0.3167
Brugia malayi	Dynamin	0.0018	0.0172	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	cytochrome P450	0.002	0.0209	0.0209
Trichomonas vaginalis	AGC family protein kinase	0.016	0.3167	0.3048
Entamoeba histolytica	protein kinase, putative	0.0464	0.9613	0.9606
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.005	0.0074
Loa Loa (eye worm)	Plekhf2 protein	0.0018	0.0172	0.0172
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Schistosoma mansoni	oxysterol-binding protein 1	0.0018	0.0172	0.0256
Entamoeba histolytica	protein kinase, putative	0.0023	0.0266	0.0096
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Brugia malayi	Cytochrome P450 family protein	0.0059	0.1036	0.1036
Echinococcus granulosus	protein kinase C gamma type	0.016	0.3167	0.4719
Onchocerca volvulus		0.0112	0.2161	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0266	0.0145
Echinococcus granulosus	FERM and pleckstrin domain containing protein	0.0018	0.0172	0.0256
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Plasmodium falciparum	glycogen synthase kinase 3	0.0112	0.2161	0.3417
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0023	0.0266	0.0145
Brugia malayi	Syntrophin-1	0.0018	0.0172	0.0172
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.016	0.3167	0.3167
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.016	0.3167	0.4719
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0309	0.6325	0.9423
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0018	0.0172	0.0256
Entamoeba histolytica	protein kinase domain containing protein	0.0112	0.2161	0.2024
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus multilocularis	oxysterol binding protein 1	0.0018	0.0172	0.0256
Echinococcus granulosus	Pleckstrin y	0.0018	0.0172	0.0256
Trypanosoma cruzi	cytochrome P450, putative	0.0059	0.1036	0.1321
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Schistosoma mansoni	phosphoinositol 4-phosphate adaptor protein	0.0018	0.0172	0.0256
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0266	0.0096
Echinococcus granulosus	DCC interacting protein 13 beta	0.0018	0.0172	0.0256
Echinococcus granulosus	Protein kinase C brain isozyme	0.016	0.3167	0.4719
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0112	0.2161	0.2161
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Toxoplasma gondii	AGC kinase	0.0464	0.9613	1
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0043	0.0699	0.1041
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0112	0.2161	0.2024
Schistosoma mansoni	cytochrome P450	0.002	0.0209	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0611	0.0611
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0023	0.0266	0.0145
Entamoeba histolytica	protein kinase domain containing protein	0.0112	0.2161	0.2024
Echinococcus granulosus	protein kinase shaggy	0.0112	0.2161	0.322
Plasmodium falciparum	PH domain-containing protein, putative	0.0018	0.0172	0.0272
Entamoeba histolytica	protein kinase, putative	0.0023	0.0266	0.0096
Echinococcus multilocularis	Pleckstrin y	0.0018	0.0172	0.0256
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0018	0.0172	0.0256
Entamoeba histolytica	p21-activated kinase	0.0023	0.0266	0.0096
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0023	0.0266	0.0096
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0327	0.6712	0.6655
Schistosoma mansoni	centaurin alpha	0.0018	0.0172	0.0256
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0112	0.2161	0.2161
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0112	0.2161	1
Entamoeba histolytica	protein kinase, putative	0.0483	1	1
Echinococcus granulosus	GRB2 associated binding protein 3	0.0018	0.0172	0.0256
Trypanosoma cruzi	Protein kinase B	0.0327	0.6712	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0464	0.9613	0.9613
Echinococcus granulosus	cytochrome P450 2K1	0.002	0.0209	0.0311
Mycobacterium leprae	putative cytochrome p450	0.002	0.0209	0.5
Echinococcus multilocularis	pleckstrin y domain containing family A	0.0018	0.0172	0.0256
Loa Loa (eye worm)	uncoordinated protein 104	0.0018	0.0172	0.0172
Entamoeba histolytica	hypothetical protein	0.0023	0.0266	0.0096
Mycobacterium ulcerans	short chain dehydrogenase	0.0338	0.6938	1
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.016	0.3167	0.4719
Plasmodium falciparum	acylated pleckstrin-homology domain-containing protein, putative	0.0018	0.0172	0.0272
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus multilocularis	cytohesin 1	0.0018	0.0172	0.0256
Echinococcus multilocularis	Rho GTPase activating protein 24	0.0018	0.0172	0.0256
Echinococcus multilocularis	Pleckstrin y	0.0018	0.0172	0.0256
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0483	1	1
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0023	0.0266	0.0421
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.0639	0.0475
Leishmania major	cytochrome p450-like protein	0.002	0.0209	0.0967
Loa Loa (eye worm)	CYP4Cod1	0.0059	0.1036	0.1036
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0013	0.005	0.005
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0059	0.1036	0.1228
Loa Loa (eye worm)	RhoGEF domain-containing protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus granulosus	myotubularin protein 13	0.0018	0.0172	0.0256
Brugia malayi	Dynamin	0.0018	0.0172	0.0172
Trypanosoma cruzi	NIMA-related kinase, putative	0.0023	0.0266	0.0145
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Schistosoma mansoni	hypothetical protein	0.0018	0.0172	0.0256
Echinococcus multilocularis		0.002	0.0209	0.0311
Entamoeba histolytica	protein kinase, putative	0.0112	0.2161	0.2024
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0309	0.6325	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Echinococcus granulosus	Pleckstrin y	0.0018	0.0172	0.0256
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0023	0.0266	0.0096
Echinococcus granulosus	calcium dependent secretion activator 1	0.0018	0.0172	0.0256
Loa Loa (eye worm)	cytohesin 3	0.0018	0.0172	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Schistosoma mansoni	hypothetical protein	0.0018	0.0172	0.0256
Brugia malayi	Protein kinase domain containing protein	0.016	0.3167	0.3167
Loa Loa (eye worm)	AGC/NDR protein kinase	0.016	0.3167	0.3167
Schistosoma mansoni	hypothetical protein	0.0018	0.0172	0.0256
Loa Loa (eye worm)	oxysterol binding protein	0.0018	0.0172	0.0172
Brugia malayi	Cadps2 protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	DCC interacting protein 13 beta	0.0018	0.0172	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	GRB2 associated binding protein 3	0.0018	0.0172	0.0256
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0023	0.0266	0.0154
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.1036	0.1036
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0023	0.0266	0.0145
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	collagen type iv alpha 3 binding protein	0.0018	0.0172	0.0256
Echinococcus multilocularis	protein kinase shaggy	0.0112	0.2161	0.322
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.016	0.3167	0.4719
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0023	0.0266	0.0145
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0023	0.0266	0.0096
Trypanosoma cruzi	cytochrome P450, putative	0.0059	0.1036	0.1321
Loa Loa (eye worm)	syntrophin-1	0.0018	0.0172	0.0172
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0023	0.0266	0.0145
Leishmania major	cytochrome p450-like protein	0.0059	0.1036	0.4791
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0112	0.2161	0.322
Echinococcus multilocularis	pdz domain containing protein	0.0018	0.0172	0.0256
Brugia malayi	Oxysterol binding protein	0.0018	0.0172	0.0172
Loa Loa (eye worm)	rho-GTPase-activating	0.0018	0.0172	0.0172
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0309	0.6325	0.9408
Leishmania major	hypothetical protein, conserved	0.0018	0.0172	0.0795
Echinococcus multilocularis	oxysterol binding protein 9	0.0018	0.0172	0.0256
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0305	0.623	0.9282
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0266	0.0096
Schistosoma mansoni	serine/threonine kinase	0.016	0.3167	0.4719
Giardia lamblia	Kinase, AGC PKA	0.0309	0.6325	1
Toxoplasma gondii	protein kinase domain-containing protein	0.0023	0.0266	0.0277
Loa Loa (eye worm)	AGC/PKN protein kinase	0.016	0.3167	0.3167
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0043	0.0699	0.1041
Echinococcus multilocularis	calcium dependent secretion activator 1	0.0018	0.0172	0.0256
Entamoeba histolytica	protein kinase, putative	0.0023	0.0266	0.0096
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0783	0.1166
Brugia malayi	cytochrome P450	0.002	0.0209	0.0209
Echinococcus multilocularis	serine:threonine protein kinase 38	0.016	0.3167	0.4719
Entamoeba histolytica	protein kinase, putative	0.0023	0.0266	0.0096
Schistosoma mansoni	serine/threonine-protein kinase	0.0327	0.6712	1
Trypanosoma brucei	protein kinase, putative	0.0112	0.2161	0.2024
Brugia malayi	MAX-1A	0.0018	0.0172	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Echinococcus multilocularis	serine:threonine protein kinase N2	0.016	0.3167	0.4719
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.002	0.0209	0.0967
Brugia malayi	protein kinase C II.	0.016	0.3167	0.3167
Brugia malayi	Plekhf2 protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.016	0.3167	0.4719
Brugia malayi	hypothetical protein	0.0018	0.0172	0.0172
Leishmania major	serine/threonine-protein kinase a, putative	0.0023	0.0266	0.1233
Schistosoma mansoni	guanyl-nucleotide exchange factor	0.0018	0.0172	0.0256
Entamoeba histolytica	protein kinase, putative	0.0483	1	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.002	0.0209	0.0057
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0266	0.0096
Echinococcus granulosus	Glutaredoxin protein 5	0.0305	0.623	0.9282
Leishmania major	protein kinase, putative	0.0023	0.0266	0.1233
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.0639	0.0475
Schistosoma mansoni	goodpasture antigen-binding protein	0.0018	0.0172	0.0256
Echinococcus multilocularis	nervana 2	0.0305	0.623	0.9282
Schistosoma mansoni	dynamin	0.0018	0.0172	0.0256
Plasmodium falciparum	oxysterol-binding protein, putative	0.0018	0.0172	0.0272
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.002	0.0209	0.0057
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0023	0.0266	0.0096
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0266	0.0096
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.016	0.3167	0.3167
Trichomonas vaginalis	AGC family protein kinase	0.0483	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Plasmodium falciparum	phosphatidylinositol transfer protein, putative	0.0018	0.0172	0.0272
Echinococcus granulosus	beta 1 syntrophin	0.0018	0.0172	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0172	0.0172
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.002	0.0209	0.0057
Entamoeba histolytica	hypothetical protein	0.0023	0.0266	0.0096
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.005	0.0074
Echinococcus granulosus	dynamin 1	0.0018	0.0172	0.0256
Schistosoma mansoni	myotubularin-related protein	0.0018	0.0172	0.0256
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.3167	0.4719
Brugia malayi	GTPase-activator protein for Ras-like GTPase containing protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	rac serine:threonine kinase	0.0327	0.6712	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0112	0.2161	0.3042
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0043	0.0699	0.0699
Brugia malayi	PH domain containing protein	0.0018	0.0172	0.0172
Echinococcus multilocularis	serine threonine protein kinase	0.016	0.3167	0.4719
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0043	0.0699	0.0699
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0305	0.623	0.9282
Echinococcus multilocularis	serine:threonine protein kinase N2	0.016	0.3167	0.4719

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.86 nM	Biological Assay Example 1	BINDINGDB.	No reference
IC50 (binding)	= 1.86 nM	Biological Assay Example 1	BINDINGDB.	No reference
IC50 (binding)	= 7.01 nM	BindingDB_Patents: Biological Assay Example 4. Inhibition assay using 11ß-HSD1 in the presence of 50% human plasma.	ChEMBL.	No reference
IC50 (binding)	= 7.01 nM	BindingDB_Patents: Biological Assay Example 4. Inhibition assay using 11ß-HSD1 in the presence of 50% human plasma.	ChEMBL.	No reference
IC50 (binding)	= 13000 nM	BindingDB_Patents: Biological Assay Example 8. Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation of [N-methyl-14C]-Diazepam by the test compound was assayed at 37° C. with human recombinant cytochrome P450 2C19.	ChEMBL.	No reference
IC50 (binding)	= 13000 nM	BindingDB_Patents: Biological Assay Example 8. Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation of [N-methyl-14C]-Diazepam by the test compound was assayed at 37° C. with human recombinant cytochrome P450 2C19.	ChEMBL.	No reference
IC50 (binding)	= 27900 nM	Biological Assay Example 9	BINDINGDB.	No reference
IC50 (binding)	= 27900 nM	Biological Assay Example 9	BINDINGDB.	No reference
IC50 (binding)	> 50000 nM	Biological Assay Example 7	BINDINGDB.	No reference
IC50 (binding)	> 50000 nM	Biological Assay Example 6	BINDINGDB.	No reference
IC50 (binding)	> 50000 nM	Biological Assay Example 7	BINDINGDB.	No reference
IC50 (binding)	> 50000 nM	Biological Assay Example 6	BINDINGDB.	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.

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: CHEMBL3664651

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1963438