TDR Targets

Basic information

Technical information

TDR Targets ID: 1407394
Name: 2-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl )pyrimidine
MW: 284.356 | Formula: C16H20N4O
H donors: 0 H acceptors: 2 LogP: 2.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1c1nccc(n1)N1CCN(CC1)C
InChi: 1S/C16H20N4O/c1-19-9-11-20(12-10-19)15-7-8-17-16(18-15)13-5-3-4-6-14(13)21-2/h3-8H,9-12H2,1-2H3
InChiKey: AQVUCFQOBDWDDI-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

2-(2-methoxyphenyl)-4-(4-methyl-1-piperazinyl)pyrimidine
NCGC00011462
PCOP-496074

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 2	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania mexicana	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania infantum	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma congolense	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania braziliensis	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei gambiense	ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania donovani	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR015063,Domain of unknown function DUF1873,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium parvum	ubiquitin C-terminal hydrolase of the cysteine proteinase fold	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium hominis	ubiquitin specific protease 66	Get druggable targets OG5_127431	All targets in OG5_127431
Candida albicans	ubiquitin-specific protease	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	Get druggable targets OG5_127431	All targets in OG5_127431

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Plasmodium falciparum	ubiquitin specific protease, putative	ubiquitin specific peptidase 2	362 aa	378 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0045	0.0184	0.0732
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0052	0.0264	0.1055
Echinococcus multilocularis	tubulin alpha chain	0.0052	0.0264	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0055	0.0219
Trypanosoma brucei	alpha tubulin	0.0052	0.0264	0.1052
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0184	0.0732
Trypanosoma brucei	alpha tubulin	0.0052	0.0264	0.1052
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0256	0.2508	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.004	0.013	0.0521
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0087	0.0348
Toxoplasma gondii	RNA-directed DNA polymerase	0.0256	0.2508	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0036	0.009	0.0359
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Brugia malayi	Telomerase reverse transcriptase	0.0681	0.7185	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0052	0.0264	0.1052
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Plasmodium falciparum	telomerase reverse transcriptase	0.0256	0.2508	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.25	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0184	0.0735
Trichomonas vaginalis	tubulin beta chain, putative	0.0052	0.0264	0.1055
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0052	0.0264	0.1055
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Schistosoma mansoni	tubulin subunit alpha	0.0052	0.0264	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0052	0.0264	1
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Schistosoma mansoni	hypothetical protein	0.0033	0.0055	0.2072
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0055	0.0076
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0184	0.0256
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.1634	0.6535
Schistosoma mansoni	alpha tubulin	0.0052	0.0264	1
Echinococcus multilocularis	hypothetical protein	0.0052	0.0264	1
Loa Loa (eye worm)	tubulin alpha chain	0.0052	0.0264	0.1055
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0184	0.0735
Trichomonas vaginalis	tubulin beta chain, putative	0.0052	0.0264	0.1055
Trichomonas vaginalis	tubulin beta chain, putative	0.0052	0.0264	0.1055
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0052	0.0264	1
Schistosoma mansoni	tubulin subunit alpha	0.0052	0.0264	1
Loa Loa (eye worm)	alpha-tubulin	0.0052	0.0264	0.1055
Echinococcus granulosus	tubulin alpha 1C chain	0.0052	0.0264	1
Brugia malayi	Tubulin alpha chain	0.0052	0.0264	0.0367
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.0184	0.6965
Plasmodium falciparum	alpha tubulin 2	0.0052	0.0264	0.1052
Echinococcus granulosus	alpha tubulin	0.0052	0.0264	1
Brugia malayi	Tubulin alpha-2 chain	0.0052	0.0264	0.0367
Echinococcus multilocularis	tubulin alpha 3 chain	0.0052	0.0264	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0052	0.0264	1
Echinococcus granulosus	tubulin alpha chain	0.0052	0.0264	1
Plasmodium vivax	tubulin alpha chain, putative	0.0052	0.0264	0.1052
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.0184	0.0732
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0184	0.6965
Echinococcus granulosus	Tubulin alpha 1 chain	0.0052	0.0264	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0052	0.0264	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0184	0.0732
Echinococcus granulosus	Tubulin alpha 1 chain	0.0052	0.0264	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0222	0.0309
Schistosoma mansoni	alpha tubulin	0.0052	0.0264	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0052	0.0264	0.1055
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0184	0.0732
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.0184	0.6965
Echinococcus multilocularis	tubulin subunit TubB	0.0052	0.0264	1
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.25	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0052	0.0264	1
Schistosoma mansoni	alpha tubulin	0.0052	0.0264	1
Echinococcus multilocularis	tubulin alpha chain	0.0052	0.0264	1
Echinococcus granulosus	tubulin alpha chain	0.0052	0.0264	1
Brugia malayi	tubulin alpha chain - mouse	0.0052	0.0264	0.0367
Echinococcus granulosus	tubulin alpha chain	0.0052	0.0264	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0184	0.0735
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.1634	0.6535
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0052	0.0264	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0052	0.0264	0.1055
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0255	0.25	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0052	0.0264	1
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0256	0.2508	1
Giardia lamblia	Telomerase catalytic subunit	0.0256	0.2508	1
Loa Loa (eye worm)	tubulin alpha 2	0.004	0.013	0.0521
Echinococcus granulosus	Tubulin alpha 1 chain	0.0052	0.0264	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0052	0.0264	0.1055
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0184	0.6965
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0256	0.2508	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.0184	0.6965
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0036	0.009	0.0359
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0052	0.0264	0.1055
Entamoeba histolytica	tubulin alpha chain, putative	0.0052	0.0264	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0052	0.0264	1
Leishmania major	telomerase reverse transcriptase, putative	0.0256	0.2508	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0052	0.0264	0.1052
Echinococcus granulosus	tubulin subunit TubB	0.0052	0.0264	1
Echinococcus granulosus	tubulin alpha chain	0.0052	0.0264	1
Plasmodium falciparum	alpha tubulin 1	0.0052	0.0264	0.1052
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Echinococcus multilocularis	tubulin alpha 3 chain	0.0052	0.0264	1
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Echinococcus multilocularis	tubulin alpha chain	0.0052	0.0264	1
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0087	0.0121
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0222	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0264	0.1055
Trypanosoma brucei	alpha tubulin	0.0052	0.0264	0.1052
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.25	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0052	0.0264	0.1055
Loa Loa (eye worm)	hypothetical protein	0.004	0.013	0.0521
Schistosoma mansoni	tubulin subunit alpha	0.0052	0.0264	1
Loa Loa (eye worm)	tubulin alpha 2	0.004	0.013	0.0521
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.004	0.013	0.0521
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.25	1
Brugia malayi	tubulin alpha-2 chain	0.0052	0.0264	0.0367
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0184	0.6965
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.0184	0.6965
Brugia malayi	Tubulin alpha-2 chain	0.0052	0.0264	0.0367
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Brugia malayi	alpha-tubulin	0.0052	0.0264	0.0367
Plasmodium vivax	tubulin alpha chain, putative	0.0052	0.0264	0.1052
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.25	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Echinococcus multilocularis	peroxisome assembly protein 26	0.0052	0.0264	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0184	0.6965
Trypanosoma brucei	alpha tubulin	0.0052	0.0264	0.1052
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Echinococcus multilocularis	tubulin alpha 1C chain	0.0052	0.0264	1
Leishmania major	alpha tubulin	0.0052	0.0264	0.1052
Echinococcus multilocularis	tubulin alpha chain	0.0052	0.0264	1
Echinococcus granulosus	tubulin alpha chain	0.0052	0.0264	1
Loa Loa (eye worm)	tubulin alpha chain	0.0052	0.0264	0.1055
Giardia lamblia	Alpha-tubulin	0.0052	0.0264	0.1052
Giardia lamblia	Alpha-tubulin	0.0052	0.0264	0.1052
Trypanosoma brucei	telomerase reverse transcriptase	0.0256	0.2508	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.009	0.0359
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.25	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Loa Loa (eye worm)	alpha-tubulin	0.0052	0.0264	0.1055
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.0184	0.6965
Trypanosoma cruzi	alpha tubulin, putative	0.0052	0.0264	0.1052
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0255	0.25	0.348
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.1535	0.6139
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0222	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0184	0.0735
Echinococcus granulosus	tubulin alpha 1C chain	0.0052	0.0264	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0222	0.0889
Echinococcus multilocularis	tubulin alpha chain	0.0052	0.0264	1

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 2.511886432 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 19.95262315 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 31.6227766 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (ADMET)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (ADMET)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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: CHEMBL1565564

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1407394