TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 465.495 | Formula: C26H27NO7
H donors: 0 H acceptors: 2 LogP: 3.96 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1=CN(Cc2ccc3c(c2)OCO3)C=C(C1c1ccc(cc1)OC)C(=O)OCC
InChi: 1S/C26H27NO7/c1-4-31-25(28)20-14-27(13-17-6-11-22-23(12-17)34-16-33-22)15-21(26(29)32-5-2)24(20)18-7-9-19(30-3)10-8-18/h6-12,14-15,24H,4-5,13,16H2,1-3H3
InChiKey: JIAXPRFKZAPRRN-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

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
Plasmodium vivax	hypothetical protein, conserved	0.0093	0.0086	0.1471
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0093	0.0086	0.5
Onchocerca volvulus	Lipase homolog	0.0093	0.0086	0.0218
Schistosoma mansoni	acyl-protein thioesterase 12 (lysophospholipase III)	0.0128	0.0147	0.1487
Mycobacterium tuberculosis	Possible haloalkane dehalogenase	0.0119	0.0132	0.0047
Leishmania major	hypothetical protein, conserved	0.2301	0.3952	1
Trypanosoma cruzi	hydrolase-like protein	0.0093	0.0086	0.0218
Leishmania major	hydrolase-like protein,esterase-like protein	0.0093	0.0086	0.0218
Mycobacterium tuberculosis	Possible hydrolase	0.0311	0.0468	0.0392
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0093	0.0086	0.0218
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.2301	0.3952	1
Loa Loa (eye worm)	hydrolase	0.0093	0.0086	0.0218
Leishmania major	lysophospholipase, putative	0.0128	0.0147	0.0373
Mycobacterium tuberculosis	Probable haloalkane dehalogenase	0.0119	0.0132	0.0047
Onchocerca volvulus	Transmembrane 9 superfamily member 4 homolog	0.008	0.0063	0.0161
Mycobacterium leprae	Probable exported protease	0.0093	0.0086	0.5
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0093	0.0086	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0086	0.0218
Entamoeba histolytica	hypothetical protein	0.0093	0.0086	1
Loa Loa (eye worm)	phospholipase/Carboxylesterase	0.0128	0.0147	0.0373
Mycobacterium tuberculosis	4,9-DHSA hydrolase	0.5663	0.9837	1
Schistosoma mansoni	tyrosine kinase	0.061	0.0991	1
Leishmania major	hypothetical protein, conserved	0.0311	0.0468	0.1185
Mycobacterium leprae	POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE)	0.0093	0.0086	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0093	0.0086	0.1471
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0618	0.1006	0.2545
Brugia malayi	Alpha/beta hydrolase	0.0093	0.0086	0.0218
Brugia malayi	Hypothetical 54.7 kDa protein F37A4.1 in chromosome III	0.0093	0.0086	0.0218
Loa Loa (eye worm)	TK/ABL protein kinase	0.0618	0.1006	0.2545
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0311	0.0468	0.1185
Leishmania major	hydrolase-like protein,esterase-like protein	0.0093	0.0086	0.0218
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0063	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0334	0.0845
Leishmania major	hypothetical protein, conserved	0.0093	0.0086	0.0218
Onchocerca volvulus		0.2301	0.3952	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.0132	0.0047
Echinococcus multilocularis	abhydrolase domain containing protein 16A	0.0093	0.0086	0.0218
Trypanosoma cruzi	hypothetical protein, conserved	0.0093	0.0086	0.0218
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0311	0.0468	1
Echinococcus multilocularis	abhydrolase domain containing protein 3	0.0093	0.0086	0.0218
Onchocerca volvulus	Lipase homolog	0.0093	0.0086	0.0218
Toxoplasma gondii	phospholipase/carboxylesterase	0.0128	0.0147	0.3146
Echinococcus multilocularis	abhydrolase domain containing 3	0.0093	0.0086	0.0218
Trichomonas vaginalis	hydrolase, putative	0.0093	0.0086	0.0218
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0093	0.0086	0.0218
Loa Loa (eye worm)	ab-hydrolase associated lipase region family protein	0.0093	0.0086	0.0218
Trypanosoma cruzi	lysophospholipase, putative	0.0128	0.0147	0.0373
Trypanosoma cruzi	hypothetical protein, conserved	0.2301	0.3952	1
Schistosoma mansoni	family S33 non-peptidase homologue (S33 family)	0.0378	0.0586	0.5912
Mycobacterium tuberculosis	Conserved protein	0.0119	0.0132	0.0047
Echinococcus granulosus	abhydrolase domain containing protein 3	0.0093	0.0086	0.0218
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0311	0.0468	0.1185
Brugia malayi	Lipase family protein	0.2301	0.3952	1
Plasmodium falciparum	acid cluster protein 33 homologue, putative	0.0093	0.0086	0.1471
Loa Loa (eye worm)	abhydrolase domain-containing protein 2	0.0093	0.0086	0.0218
Toxoplasma gondii	homoserine O-acetyltransferase, putative	0.0093	0.0086	0.184
Leishmania major	hypothetical protein, conserved	0.0093	0.0086	0.0218
Brugia malayi	alpha/beta hydrolase	0.0093	0.0086	0.0218
Trypanosoma cruzi	hypothetical protein, conserved	0.0093	0.0086	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0378	0.0586	0.1482
Entamoeba histolytica	alpha/beta hydrolase fold protein, putative	0.0093	0.0086	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0252	0.0365	0.0923
Mycobacterium leprae	Probable homoserine o-acetyltransferase MetA	0.0093	0.0086	0.5
Leishmania major	hydrolase, alpha/beta fold family-like protein	0.0093	0.0086	0.0218
Plasmodium falciparum	epoxide hydrolase 1	0.0093	0.0086	0.1471
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0093	0.0086	0.0218
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0093	0.0086	0.0218
Echinococcus multilocularis	acyl protein thioesterase 12	0.0128	0.0147	0.0373
Trypanosoma cruzi	hypothetical protein, conserved	0.2301	0.3952	1
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0093	0.0086	0.0218
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0311	0.0468	0.1185
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0378	0.0586	1
Trichomonas vaginalis	lipase containing protein, putative	0.2301	0.3952	1
Echinococcus granulosus	acyl protein thioesterase 1	0.0128	0.0147	0.0373
Onchocerca volvulus	Epoxide hydrolase 1 homolog	0.0093	0.0086	0.0218
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0093	0.0086	0.0218
Entamoeba histolytica	alpha/beta hydrolase domain protein, putative	0.0093	0.0086	1
Wolbachia endosymbiont of Brugia malayi	esterase	0.0128	0.0147	0.5
Trypanosoma cruzi	hydrolase-like protein, putative	0.0093	0.0086	0.0218
Leishmania major	serine peptidase, putative,serine peptidase, Clan SC, Family S9D	0.0093	0.0086	0.0218
Echinococcus multilocularis	abhydrolase domain containing protein 11	0.0378	0.0586	0.1482
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0618	0.1006	0.2545
Trypanosoma cruzi	hypothetical protein, conserved	0.0093	0.0086	0.0218
Mycobacterium leprae	Probable exported protease	0.0093	0.0086	0.5
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0093	0.0086	0.0218
Brugia malayi	UPF0017 protein CG3488	0.0093	0.0086	0.0218
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0093	0.0086	0.0218
Chlamydia trachomatis	lysophospholipase esterase	0.0128	0.0147	0.5
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.2301	0.3952	1
Loa Loa (eye worm)	lipase	0.2301	0.3952	1
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0093	0.0086	0.0218
Brugia malayi	Phospholipase/Carboxylesterase family protein	0.0128	0.0147	0.0373
Plasmodium vivax	hypothetical protein, conserved	0.0093	0.0086	0.1471
Schistosoma mansoni	acyl-protein thioesterase 12 (lysophospholipase III)	0.0128	0.0147	0.1487
Mycobacterium ulcerans	hydrolase	0.0311	0.0468	0.0385
Trypanosoma brucei	lipase domain protein, putative	0.2301	0.3952	1
Echinococcus granulosus	abhydrolase domain containing protein	0.0093	0.0086	0.0218
Echinococcus granulosus	abhydrolase domain containing protein 11	0.0378	0.0586	0.1482
Trypanosoma cruzi	hydrolase-like protein, putative	0.0093	0.0086	0.0218
Echinococcus multilocularis	acyl protein thioesterase 1	0.0128	0.0147	0.0373
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0311	0.0468	0.1185
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0093	0.0086	0.0218
Mycobacterium leprae	POSSIBLE SECRETED PROTEASE	0.0093	0.0086	0.5
Trypanosoma cruzi	lysophospholipase, putative	0.0128	0.0147	0.0373
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0093	0.0086	0.0218
Echinococcus granulosus	lysosomal acid lipase:cholesteryl ester	0.0093	0.0086	0.0218
Schistosoma mansoni	hydrolase	0.0093	0.0086	0.087
Trichomonas vaginalis	lipase containing protein, putative	0.2301	0.3952	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0375	0.058	0.1467
Leishmania major	hydrolase, alpha/beta fold family, putative	0.0093	0.0086	0.0218
Toxoplasma gondii	alpha/beta hydrolase, putative	0.0093	0.0086	0.184
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0093	0.0086	0.0218
Schistosoma mansoni	acyl-protein thioesterase 12 (lysophospholipase III)	0.0128	0.0147	0.1487
Echinococcus multilocularis	abhydrolase domain containing protein	0.0093	0.0086	0.0218
Trypanosoma brucei	lysophospholipase, putative	0.0128	0.0147	0.0373
Brugia malayi	Tyrosine-protein kinase abl-1	0.0252	0.0365	0.0923
Plasmodium vivax	alpha/beta hydrolase, putative	0.0378	0.0586	1
Trypanosoma brucei	lipase domain protein, putative	0.2301	0.3952	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0093	0.0086	0.0218
Echinococcus granulosus	acyl protein thioesterase 12	0.0128	0.0147	0.0373
Leishmania major	hydrolase-like protein	0.0093	0.0086	0.0218
Giardia lamblia	ENC6 protein	0.0093	0.0086	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 42 %	Inhibition of recombinant PDE4B1 (unknown origin) expressed in Sf9 cells at 30 uM pre-incubated with compound for 15 mins before incubation with cAMP substrate for 1 hr	ChEMBL.	23294698

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: CHEMBL2315895

Bibliographic References

1 literature reference was 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 1741559