TDR Targets

Basic information

Technical information

TDR Targets ID: 106726
Name: 4-(1,3-benzodioxol-5-ylmethoxy)-6,7,8-trimeth oxyquinazoline
MW: 370.356 | Formula: C19H18N2O6
H donors: 0 H acceptors: 2 LogP: 3.07 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(ncnc2c(c1OC)OC)OCc1ccc2c(c1)OCO2
InChi: 1S/C19H18N2O6/c1-22-15-7-12-16(18(24-3)17(15)23-2)20-9-21-19(12)25-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3
InChiKey: PXMYKKBZBXLZHK-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

4-(1,3-benzodioxol-5-ylmethoxy)-6,7,8-trimethoxy-quinazoline
6,7,8-trimethoxy-4-piperonyloxy-quinazoline

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphodiesterase 5A, cGMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania braziliensis	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma brucei	cAMP-specific phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Schistosoma japonicum	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania mexicana	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma brucei gambiense	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania infantum	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127318	All targets in OG5_127318
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma congolense	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Toxoplasma gondii	hypothetical protein	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma brucei gambiense	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Schistosoma japonicum	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Schistosoma japonicum	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania infantum	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania mexicana	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania braziliensis	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127318	All targets in OG5_127318
Candida albicans	similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Candida albicans	similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma congolense	cAMP-specific phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Leishmania donovani	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma brucei	cAMP-specific phosphodiesterase	Get druggable targets OG5_127318	All targets in OG5_127318
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	Get druggable targets OG5_127318	All targets in OG5_127318

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		0.0577	0.3352	0.2644
Trypanosoma cruzi	WLM domain containing protein, putative	0.0577	0.3352	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1623	1	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0577	0.3352	0.3251
Leishmania major	hypothetical protein, conserved	0.0577	0.3352	1
Schistosoma mansoni	RNA binding protein	0.0577	0.3352	0.3251
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Leishmania major	hypothetical protein, conserved	0.0577	0.3352	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1623	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1623	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0577	0.3352	0.2644
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0092	0.0092
Trypanosoma cruzi	WLM domain containing protein, putative	0.0577	0.3352	1
Chlamydia trachomatis	SWIB complex protein	0.1623	1	0.5
Schistosoma mansoni	hypothetical protein	0.1623	1	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.1623	1	1
Schistosoma mansoni	hypothetical protein	0.1623	1	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trypanosoma cruzi	hypothetical protein, conserved	0.0577	0.3352	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0092	0.0092
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Echinococcus granulosus	Zinc finger RanBP2 type	0.0577	0.3352	0.3251
Onchocerca volvulus		0.0577	0.3352	0.2644
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Brugia malayi	brahma associated protein 60 kDa	0.1623	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Leishmania major	hypothetical protein, conserved	0.0577	0.3352	1
Schistosoma mansoni	zinc finger protein	0.0577	0.3352	0.3251
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0577	0.3352	0.3251
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0577	0.3352	0.3251
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1623	1	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0577	0.3352	0.3251
Loa Loa (eye worm)	hypothetical protein	0.0577	0.3352	0.2644
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0149	0.0149
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1623	1	0.5
Chlamydia trachomatis	DNA topoisomerase I	0.1623	1	0.5
Schistosoma mansoni	hypothetical protein	0.1623	1	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trypanosoma cruzi	hypothetical protein, conserved	0.0577	0.3352	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.0149	0.0445
Echinococcus granulosus	ring and YY1 binding protein	0.0577	0.3352	0.3251
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.0149	0.0445
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0577	0.3352	1
Onchocerca volvulus		0.0577	0.3352	0.2644
Echinococcus multilocularis	ring and YY1 binding protein	0.0577	0.3352	0.3251
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Toxoplasma gondii	ran binding protein	0.0577	0.3352	0.329
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Leishmania major	hypothetical protein, conserved	0.0577	0.3352	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0577	0.3352	0.329
Trypanosoma brucei	hypothetical protein, conserved	0.0577	0.3352	1
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.0149	0.0445
Schistosoma mansoni	brg-1 associated factor	0.1623	1	1
Schistosoma mansoni	hypothetical protein	0.0577	0.3352	0.3251
Echinococcus multilocularis	SWI:SNF matrix associated	0.1623	1	1
Echinococcus granulosus	SWI:SNF matrix associated	0.1623	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0577	0.3352	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0092	0.0092
Echinococcus multilocularis	tumor protein p63	0.1376	0.8432	0.8408
Echinococcus granulosus	tumor protein p63	0.1376	0.8432	0.8408
Loa Loa (eye worm)	hypothetical protein	0.0577	0.3352	0.2644
Schistosoma mansoni	fusion	0.0577	0.3352	0.3251
Trypanosoma brucei	hypothetical protein, conserved	0.0577	0.3352	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0577	0.3352	1
Loa Loa (eye worm)	hypothetical protein	0.0577	0.3352	0.2644
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	conserved hypothetical protein	0.1623	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1623	1	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Onchocerca volvulus		0.0577	0.3352	0.2644
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0074	0.0149	0.0149
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1623	1	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0577	0.3352	0.3251
Schistosoma mansoni	cellular tumor antigen P53	0.0201	0.0962	0.0825
Trypanosoma cruzi	hypothetical protein, conserved	0.0577	0.3352	1
Loa Loa (eye worm)	brahma associated protein	0.1623	1	1
Onchocerca volvulus		0.1623	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.0149	0.0149
Plasmodium vivax	hypothetical protein, conserved	0.1623	1	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0577	0.3352	0.2644
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0577	0.3352	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1623	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0577	0.3352	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1623	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0577	0.3352	0.2644
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0577	0.3352	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1623	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0577	0.3352	1
Leishmania major	hypothetical protein, conserved	0.0577	0.3352	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0074	0.0149	0.0149
Schistosoma mansoni	TRABID protein (C64 family)	0.0577	0.3352	0.3251

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 uM	Inhibitory activity against cGMP-phosphodiesterase from porcine aorta	ChEMBL.	8027992
IC50 (binding)	= 1 uM	Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta.	ChEMBL.	8254606
IC50 (binding)	= 1 uM	Inhibitory activity against cGMP-phosphodiesterase from porcine aorta	ChEMBL.	8027992
IC50 (binding)	= 1 uM	Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta.	ChEMBL.	8254606

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: CHEMBL63637
PubChem: 18796767

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 106726