TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 196.2 | Formula: C10H12O4
H donors: 2 H acceptors: 4 LogP: 1.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCC1=C(O)C(=O)C(=C(C1=O)O)CC
InChi: 1S/C10H12O4/c1-3-5-7(11)9(13)6(4-2)10(14)8(5)12/h11,14H,3-4H2,1-2H3
InChiKey: OMFNTGADVAMGHG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0439	0.2764	0.2764
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.049	0.3157	0.3157
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0439	0.2764	0.2764
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0439	0.2764	0.2764
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0087	0.0049	0.0049
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.049	0.3157	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0201	0.0929	0.0929
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0129	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0199	0.0915	0.0915
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1378	1	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0121	0.031	0.031
Plasmodium vivax	hypothetical protein, conserved	0.1378	1	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.049	0.3157	0.3157
Onchocerca volvulus		0.0766	0.5284	0.4809
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1378	1	1
Echinococcus granulosus	tumor protein p63	0.1361	0.9874	0.9874
Brugia malayi	LBP/BPI	0.0327	0.1899	0.1899
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Onchocerca volvulus		0.049	0.3157	0.2468
Loa Loa (eye worm)	hypothetical protein	0.049	0.3157	0.3157
Loa Loa (eye worm)	hypothetical protein	0.0439	0.2764	0.2764
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0235	0.1191	0.1191
Loa Loa (eye worm)	hypothetical protein	0.0439	0.2764	0.2764
Chlamydia trachomatis	DNA topoisomerase I	0.1378	1	0.5
Schistosoma mansoni	fusion	0.049	0.3157	0.2938
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0439	0.2764	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0459	0.2919	0.2919
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1899	0.1899
Loa Loa (eye worm)	brahma associated protein	0.1378	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.049	0.3157	0.3157
Onchocerca volvulus		0.0766	0.5284	0.4809
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0766	0.5284	0.5284
Onchocerca volvulus		0.0766	0.5284	0.4809
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Schistosoma mansoni	cellular tumor antigen P53	0.0199	0.0915	0.0625
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0766	0.5284	0.5284
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1899	0.1899
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.049	0.3157	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0439	0.2764	0.2764
Trypanosoma cruzi	hypothetical protein, conserved	0.049	0.3157	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.049	0.3157	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.049	0.3157	0.3157
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0121	0.031	0.031
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0087	0.0049	0.0037
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0129	0.0373	0.0373
Brugia malayi	hypothetical protein	0.0327	0.1899	0.1899
Loa Loa (eye worm)	hypothetical protein	0.049	0.3157	0.3157
Trypanosoma brucei	hypothetical protein, conserved	0.049	0.3157	1
Loa Loa (eye worm)	PDE1B protein	0.0235	0.1191	0.1191
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.049	0.3157	0.3157
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1378	1	1
Leishmania major	hypothetical protein, conserved	0.049	0.3157	1
Toxoplasma gondii	ran binding protein	0.049	0.3157	0.2892
Onchocerca volvulus		0.0439	0.2764	0.2035
Schistosoma mansoni	zinc finger protein	0.049	0.3157	0.2938
Brugia malayi	YY1-associated factor 2	0.049	0.3157	0.3157
Loa Loa (eye worm)	hypothetical protein	0.049	0.3157	0.3157
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0129	0.0373	0.0373
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	conserved hypothetical protein	0.1378	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.049	0.3157	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0373	0.0373
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Loa Loa (eye worm)	hypothetical protein	0.049	0.3157	0.3157
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0087	0.0049	0.0049
Onchocerca volvulus		0.049	0.3157	0.2468
Echinococcus multilocularis	SWI:SNF matrix associated	0.1378	1	1
Brugia malayi	hypothetical protein	0.0439	0.2764	0.2764
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0439	0.2764	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0439	0.2764	0.2764
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trypanosoma cruzi	WLM domain containing protein, putative	0.049	0.3157	1
Trichomonas vaginalis	conserved hypothetical protein	0.0327	0.1899	0.1889
Echinococcus granulosus	ring and YY1 binding protein	0.049	0.3157	0.3157
Trichomonas vaginalis	conserved hypothetical protein	0.0121	0.031	0.0298
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0766	0.5284	0.5284
Brugia malayi	SWIB/MDM2 domain containing protein	0.1378	1	1
Schistosoma mansoni	hypothetical protein	0.1378	1	1
Onchocerca volvulus		0.0327	0.1899	0.1083
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0235	0.1191	0.1191
Schistosoma mansoni	hypothetical protein	0.049	0.3157	0.2938
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trypanosoma cruzi	hypothetical protein, conserved	0.049	0.3157	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0235	0.1191	0.1191
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0087	0.0049	0.0037
Onchocerca volvulus		0.0766	0.5284	0.4809
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0459	0.2919	0.2919
Echinococcus multilocularis	zinc finger protein Ran binding	0.049	0.3157	0.3157
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0929	0.0929
Trypanosoma cruzi	hypothetical protein, conserved	0.049	0.3157	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1899	0.1899
Onchocerca volvulus		0.0766	0.5284	0.4809
Onchocerca volvulus		0.049	0.3157	0.2468
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0121	0.031	0.0298
Onchocerca volvulus		0.1378	1	1
Echinococcus multilocularis	ring and YY1 binding protein	0.049	0.3157	0.3157
Onchocerca volvulus		0.0766	0.5284	0.4809
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.049	0.3157	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0121	0.031	0.0946
Leishmania major	hypothetical protein, conserved	0.049	0.3157	1
Leishmania major	hypothetical protein, conserved	0.049	0.3157	1
Echinococcus granulosus	zinc finger protein Ran binding	0.049	0.3157	0.3157
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Onchocerca volvulus		0.0439	0.2764	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0766	0.5284	0.5284
Chlamydia trachomatis	SWIB complex protein	0.1378	1	0.5
Brugia malayi	brahma associated protein 60 kDa	0.1378	1	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0439	0.2764	0.2764
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.049	0.3157	0.3157
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.049	0.3157	1
Schistosoma mansoni	TRABID protein (C64 family)	0.049	0.3157	0.2938
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1899	0.1899
Echinococcus multilocularis	SWI:SNF matrix associated	0.1378	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Echinococcus multilocularis	SWI:SNF matrix associated	0.1378	1	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0121	0.031	0.0946
Schistosoma mansoni	brg-1 associated factor	0.1378	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1378	1	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0129	0.0373	0.5
Schistosoma mansoni	hypothetical protein	0.1378	1	1
Brugia malayi	hypothetical protein	0.0439	0.2764	0.2764
Echinococcus granulosus	SWI:SNF matrix associated	0.1378	1	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1378	1	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0201	0.0929	0.0639
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.049	0.3157	0.2468
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1378	1	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Onchocerca volvulus		0.049	0.3157	0.2468
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1378	1	1
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0235	0.1191	0.091
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0121	0.031	0.0298
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0087	0.0049	0.0049
Schistosoma mansoni	RNA binding protein	0.049	0.3157	0.2938
Schistosoma mansoni	hypothetical protein	0.1378	1	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0121	0.031	0.0946
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.049	0.3157	0.3157
Leishmania major	hypothetical protein, conserved	0.049	0.3157	1
Loa Loa (eye worm)	hypothetical protein	0.0411	0.2546	0.2546
Trypanosoma cruzi	WLM domain containing protein, putative	0.049	0.3157	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0129	0.0373	0.0373
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.049	0.3157	0.2892
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0766	0.5284	0.5284
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.049	0.3157	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.049	0.3157	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.049	0.3157	0.3157
Onchocerca volvulus		0.0766	0.5284	0.4809
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0087	0.0049	0.0037
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0121	0.031	0.0298
Echinococcus multilocularis	tumor protein p63	0.1361	0.9874	0.9874
Loa Loa (eye worm)	hypothetical protein	0.049	0.3157	0.3157
Onchocerca volvulus		0.0766	0.5284	0.4809
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0129	0.0373	0.0065
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1378	1	0.5
Leishmania major	hypothetical protein, conserved	0.049	0.3157	1

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 50 ug ml-1	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv grown in MGIT liquid medium assessed as growth inhibition measured after 4 weeks by BACTEC method	ChEMBL.	No reference
MIC (functional)	= 55 ug ml-1	Antimycobacterial activity against MDR Mycobacterium tuberculosis grown in MGIT liquid medium assessed as growth inhibition measured after 4 weeks by BACTEC method	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: CHEMBL2296053

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1805249