TDR Targets

Basic information

Technical information

TDR Targets ID: 135434
Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5, 6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(3, 4-difluoro-5-methoxyphenyl)methanol
MW: 454.484 | Formula: C26H25F3N2O2
H donors: 1 H acceptors: 2 LogP: 5.21 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1F)F)[C@@H]([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3c1ccc(cc1)F)O
InChi: 1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
InChiKey: MFEARMWUWKRDRV-BQQUOAEZSA-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

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(3,4-difluoro-5-methoxy-phenyl)methanol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	nuclear receptor subfamily 3, group C, member 1	Starlite/ChEMBL	References
Homo sapiens	androgen receptor	Starlite/ChEMBL	References
Homo sapiens	nuclear receptor subfamily 3, group C, member 2	Starlite/ChEMBL	References
Homo sapiens	estrogen receptor 1	Starlite/ChEMBL	References
Homo sapiens	nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor)	Starlite/ChEMBL	References
Homo sapiens	progesterone receptor	Starlite/ChEMBL	References

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
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0056	0.0151	0.0151
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0109	0.0879	0.0879
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Schistosoma mansoni	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0109	0.0879	0.5
Loa Loa (eye worm)	uridine phosphorylase	0.0777	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0056	0.0151	0.0151
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Brugia malayi	nuclear receptor NHR-88	0.0056	0.0151	0.0151
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0109	0.0879	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0056	0.0151	0.0151
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0879	0.5
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0109	0.0879	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Leishmania major	nucleoside phosphorylase-like protein	0.0109	0.0879	0.5
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Toxoplasma gondii	phosphorylase family protein	0.0109	0.0879	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.0879	0.5
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0109	0.0879	1
Echinococcus multilocularis	FTZ F1 alpha	0.0056	0.0151	0.0151
Schistosoma mansoni	RAR-like nuclear receptor	0.0056	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Echinococcus multilocularis	uridine phosphorylase 1	0.0777	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0056	0.0151	0.0151
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0056	0.0151	0.0151
Chlamydia trachomatis	AMP nucleosidase	0.0109	0.0879	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0056	0.0151	0.0151
Echinococcus granulosus	PHD finger protein rhinoceros	0.0057	0.0157	0.0157
Echinococcus granulosus	ecdysone induced protein 78C	0.0056	0.0151	0.0151
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0056	0.0151	0.0151
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0056	0.0151	0.0151
Leishmania major	methylthioadenosine phosphorylase, putative	0.0109	0.0879	0.5
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0109	0.0879	0.5
Plasmodium falciparum	purine nucleoside phosphorylase	0.0109	0.0879	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0157	0.0157
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0487	0.0487
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0151	0.0151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0056	0.0151	0.0151
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0109	0.0879	0.0879
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0109	0.0879	0.0879
Echinococcus multilocularis	lysine specific demethylase 5A	0.0069	0.032	0.032
Mycobacterium leprae	probable uridine phosphorylase	0.0777	1	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0487	0.0487
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0151	0.0151
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0109	0.0879	0.0879
Toxoplasma gondii	phosphorylase family protein	0.0109	0.0879	1
Brugia malayi	PHD-finger family protein	0.0057	0.0157	0.0157
Echinococcus granulosus	jumonji domain containing protein	0.0079	0.046	0.046
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0109	0.0879	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Schistosoma mansoni	uridine phosphorylase	0.0777	1	1
Treponema pallidum	pfs protein (pfs)	0.0109	0.0879	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0151	0.0151
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0185	0.1916	0.1916
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0057	0.0157	0.0157
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0056	0.0151	0.0151
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0056	0.0151	0.0151
Echinococcus multilocularis	ecdysone induced protein 78C	0.0056	0.0151	0.0151
Brugia malayi	nuclear hormone receptor	0.0056	0.0151	0.0151
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0109	0.0879	0.0879
Brugia malayi	steroid hormone receptor	0.0056	0.0151	0.0151
Echinococcus granulosus	uridine phosphorylase 1	0.0777	1	1
Schistosoma mansoni	uridine phosphorylase	0.0777	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0185	0.1916	0.1916
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0056	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0151	0.0151
Brugia malayi	jmjC domain containing protein	0.0069	0.032	0.032
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0056	0.0151	0.0151
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0056	0.0151	0.0151
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0056	0.0151	0.0151
Treponema pallidum	uridine phosphorylase (udp)	0.0109	0.0879	0.5
Brugia malayi	jmjC domain containing protein	0.0185	0.1916	0.1916
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0056	0.0151	0.0151
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0056	0.0151	0.0151
Brugia malayi	MTAP	0.0109	0.0879	0.0879
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0109	0.0879	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0056	0.0151	0.0151
Loa Loa (eye worm)	jmjC domain-containing protein	0.0069	0.032	0.032
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0056	0.0151	0.0151
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0056	0.0151	0.0151
Onchocerca volvulus		0.0081	0.0487	0.4612
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0109	0.0879	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0056	0.0151	0.0151
Schistosoma mansoni	thyroid hormone receptor	0.0056	0.0151	0.0151
Brugia malayi	ecdysteroid receptor	0.0056	0.0151	0.0151
Brugia malayi	Steroid receptor seven-up type 2	0.0056	0.0151	0.0151
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0056	0.0151	0.0151
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0056	0.0151	0.0151
Loa Loa (eye worm)	PHD-finger family protein	0.0057	0.0157	0.0157
Schistosoma mansoni	jumonji domain containing protein	0.0147	0.1396	0.1396
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0056	0.0151	0.0151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0056	0.0151	0.0151
Schistosoma mansoni	hypothetical protein	0.0057	0.0157	0.0157
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0056	0.0151	0.0151
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0056	0.0151	0.0151
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0056	0.0151	0.0151
Schistosoma mansoni	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.032	0.032
Loa Loa (eye worm)	jmjC domain-containing protein	0.0117	0.0981	0.0981
Echinococcus multilocularis	jumonji domain containing protein	0.0079	0.046	0.046
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Echinococcus multilocularis	peregrin	0.0057	0.0157	0.0157
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Brugia malayi	Bromodomain containing protein	0.0057	0.0157	0.0157
Entamoeba histolytica	hypothetical protein	0.0109	0.0879	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0056	0.0151	0.0151
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0879	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0151	0.0151
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0109	0.0879	0.0879
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0056	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0056	0.0151	0.0151
Trypanosoma brucei	uridine phosphorylase	0.0109	0.0879	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0056	0.0151	0.0151
Schistosoma mansoni	nuclear hormone receptor	0.0056	0.0151	0.0151
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0109	0.0879	1
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0109	0.0879	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.032	0.032
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0056	0.0151	0.0151
Echinococcus granulosus	purine nucleoside phosphorylase	0.0109	0.0879	0.0879
Loa Loa (eye worm)	steroid hormone receptor	0.0056	0.0151	0.0151
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0109	0.0879	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0056	0.0151	0.0151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0056	0.0151	0.0151
Giardia lamblia	UPL-1	0.0109	0.0879	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0056	0.0151	0.0151
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0109	0.0879	1
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0109	0.0879	0.5
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0151	0.0151
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0056	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0487	0.0487
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0056	0.0151	0.0151
Schistosoma mansoni	coup transcription factor	0.0056	0.0151	0.0151
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.2434	1
Echinococcus granulosus	peregrin	0.0057	0.0157	0.0157
Onchocerca volvulus	Alhambra homolog	0.0057	0.0157	0.009
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0109	0.0879	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0056	0.0151	0.0151
Echinococcus granulosus	lysine specific demethylase 5A	0.0069	0.032	0.032
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0056	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0097	0.071	0.071
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0057	0.0157	0.0157
Schistosoma mansoni	retinoic acid receptor RXR	0.0056	0.0151	0.0151
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0109	0.0879	0.5
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0109	0.0879	0.0879

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)		Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells; nd=not determined	ChEMBL.	15808489
EC50 (binding)	0	Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells; nd=not determined	ChEMBL.	15808489
EC50 (binding)	nM	Ability to induce human glutamine synthetase in skeletal muscle cells; n.r.: not reported, EC50 values not reported in cases were %dex	ChEMBL.	15115388
EC50 (binding)	0 nM	Ability to induce human glutamine synthetase in skeletal muscle cells; n.r.: not reported, EC50 values not reported in cases were %dex	ChEMBL.	15115388
EC50 (functional)	= 14.4 nM	Ability to induce human IL-6 assay in A549 lung carcinoma cell line.	ChEMBL.	15115388
EC50 (functional)	= 14.4 nM	GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells	ChEMBL.	15808489
EC50 (functional)	= 14.4 nM	Ability to induce human IL-6 assay in A549 lung carcinoma cell line.	ChEMBL.	15115388
EC50 (functional)	= 14.4 nM	GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells	ChEMBL.	15808489
EC50 (binding)	= 15 nM	GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice	ChEMBL.	15808489
EC50 (binding)	= 15 nM	GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice	ChEMBL.	15808489
EC50 (functional)	= 15.2 nM	Ability to induce mouse macrophage IL-6 assay in peritoneal exudate cells harvested by gavage from C57BI/6 mice.	ChEMBL.	15115388
EC50 (functional)	= 15.2 nM	Ability to induce mouse macrophage IL-6 assay in peritoneal exudate cells harvested by gavage from C57BI/6 mice.	ChEMBL.	15115388
EC50 (functional)	= 520.8 nM	Glucocorticoid induced transactivation of human tyrosine amino transferase in HepG2 cells	ChEMBL.	15115388
EC50 (functional)	= 520.8 nM	Glucocorticoid induced transactivation of human tyrosine amino transferase in HepG2 cells	ChEMBL.	15115388
EC50 (binding)	= 521 nM	Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells	ChEMBL.	15808489
EC50 (binding)	= 521 nM	Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells	ChEMBL.	15808489
IC50 (binding)	= 1.9 nM	Compound was tested for inhibitory activity towards human glucocorticoid receptor	ChEMBL.	15115388
IC50 (binding)	= 1.9 nM	Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone	ChEMBL.	15808489
IC50 (binding)	= 1.9 nM	Compound was tested for inhibitory activity towards human glucocorticoid receptor	ChEMBL.	15115388
IC50 (binding)	= 1.9 nM	Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone	ChEMBL.	15808489
IC50 (binding)	= 0.0019 uM	Binding affinity for human glucocorticoid receptor	ChEMBL.	15115388
IC50 (binding)	= 0.0019 uM	Binding affinity for human glucocorticoid receptor	ChEMBL.	15115388
IC50 (binding)	> 1 uM	Binding affinity towards human progesterone receptor	ChEMBL.	15115388
IC50 (binding)	> 1 uM	Binding affinity towards human progesterone receptor	ChEMBL.	15115388
IC50 (binding)	> 5 uM	Binding affinity for human mineralocorticoid receptor	ChEMBL.	15115388
IC50 (binding)	> 5 uM	Binding affinity for human androgen receptor	ChEMBL.	15115388
IC50 (binding)	> 5 uM	Binding affinity for human Estrogen receptor alpha	ChEMBL.	15115388
IC50 (binding)	> 5 uM	Binding affinity for human mineralocorticoid receptor	ChEMBL.	15115388
IC50 (binding)	> 5 uM	Binding affinity for human androgen receptor	ChEMBL.	15115388
IC50 (binding)	> 5 uM	Binding affinity for human Estrogen receptor alpha	ChEMBL.	15115388

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	15115388

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: CHEMBL313062
PubChem: 11305564

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 135434