TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.413 | Formula: C20H23N3O6
H donors: 4 H acceptors: 6 LogP: 1.9 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)C(NC(=O)c1cccc(n1)COc1cc(O)c(cc1CC)C(=O)C)C
InChi: 1S/C20H23N3O6/c1-4-13-8-15(12(3)24)17(25)9-18(13)29-10-14-6-5-7-16(22-14)20(27)21-11(2)19(26)23-28/h5-9,11,25,28H,4,10H2,1-3H3,(H,21,27)(H,23,26)
InChiKey: LZYLXYWFVZGCLR-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

No synonyms found for this compound

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

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
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Schistosoma mansoni	pyruvate kinase	0.0034	0.0491	0.0128
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Brugia malayi	RNA binding protein	0.0065	0.2586	0.2418
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.0491	0.0441
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.0491	0.5
Schistosoma mansoni	hypothetical protein	0.0174	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2586	0.2303
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0686	0.0731
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0491	0.0134
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.0491	0.0134
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0686	0.114
Toxoplasma gondii	hypothetical protein	0.0065	0.2546	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0074	0.3161	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0168	0.9544	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0686	0.0347
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Chlamydia trachomatis	pyruvate kinase	0.0034	0.0491	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0074	0.3161	0.2899
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.2586	0.2418
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Plasmodium falciparum	pyruvate kinase	0.0034	0.0491	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.2586	0.2418
Schistosoma mansoni	alpha glucosidase	0.0037	0.0686	0.0331
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0686	0.114
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0074	0.3161	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Echinococcus granulosus	tar DNA binding protein	0.0065	0.2586	0.2303
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.0491	0.0134
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.0491	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0033	0.0368	0.0368
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0686	0.114
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Schistosoma mansoni	alpha-glucosidase	0.0144	0.7959	0.7881
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.0491	0.5
Giardia lamblia	Pyruvate kinase	0.0034	0.0491	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2586	0.2303
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0686	0.114
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0686	0.114
Echinococcus multilocularis	geminin	0.0174	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.2586	0.2418
Echinococcus multilocularis	pyruvate kinase	0.0034	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0491	0.0134
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.9544	0.9544
Schistosoma mansoni	hypothetical protein	0.0174	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.3161	1
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0491	0.0134
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.2546	0.7799
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0686	0.114
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.3161	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2586	0.2303
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0686	0.0331
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.2586	0.2586
Schistosoma mansoni	pyruvate kinase	0.0034	0.0491	0.0128
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.2546	0.7799
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0074	0.3161	0.2899
Loa Loa (eye worm)	RNA binding protein	0.0065	0.2586	0.2418
Echinococcus granulosus	pyruvate kinase	0.0034	0.0491	0.0128
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.9544	0.9544
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0686	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.0491	0.0441
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0686	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.005	0.1568	0.4296
Echinococcus multilocularis	pyruvate kinase	0.0034	0.0491	0.0491
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.2546	0.7799
Schistosoma mansoni	alpha-glucosidase	0.0144	0.7959	0.7881
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0686	0.0686
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.005	0.1568	0.4296
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.3161	1
Mycobacterium ulcerans	pyruvate kinase	0.0034	0.0491	0.5
Onchocerca volvulus		0.0097	0.4744	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0686	0.114
Echinococcus granulosus	pyruvate kinase	0.0034	0.0491	0.0128
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0074	0.3161	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2586	0.2303
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2586	0.2303
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.005	0.1568	0.4033
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0074	0.3161	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0686	0.095
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0491	0.0134
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0686	0.0347
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0074	0.3161	0.3161
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0686	0.114
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0686	0.0731
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0686	0.114
Trypanosoma brucei	glucosidase, putative	0.0037	0.0686	0.0731
Brugia malayi	TAR-binding protein	0.0065	0.2586	0.2418
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0686	0.0731
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0074	0.3161	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0168	0.9544	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0168	0.9544	0.9527

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.35 uM	Inhibitory concentration against Phosphodiesterase type 5	ChEMBL.	16005625
IC50 (binding)	= 0.35 uM	Inhibitory concentration against Phosphodiesterase type 5	ChEMBL.	16005625

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 329770