TDR Targets

Basic information

Technical information

TDR Targets ID: 1650915
Name: 1-[8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6 H-pyrano[6,5-f][1,3]benzodioxol-6-yl]pyrrolid ine
MW: 367.438 | Formula: C22H25NO4
H donors: 0 H acceptors: 0 LogP: 4.65 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)C1C(C)C(Oc2c1cc1OCOc1c2)N1CCCC1
InChi: 1S/C22H25NO4/c1-14-21(15-6-5-7-16(10-15)24-2)17-11-19-20(26-13-25-19)12-18(17)27-22(14)23-8-3-4-9-23/h5-7,10-12,14,21-22H,3-4,8-9,13H2,1-2H3
InChiKey: NRMLCSNFBPYZRW-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

1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine
AIDS-144118
AIDS144118
Methyl 3-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl ether
NSC666229
NCI60_022994

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
Schistosoma mansoni	cell polarity protein	0.0375	0.1187	0.1187
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0375	0.1187	0.1021
Brugia malayi	GCC2 and GCC3 family protein	0.0375	0.1187	0.1187
Echinococcus granulosus	protein jagged 2	0.0375	0.1187	0.1187
Brugia malayi	Delta serrate ligand family protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Echinococcus granulosus	neurogenic locus notch protein	0.0375	0.1187	0.1187
Trichomonas vaginalis	glutaminase, putative	0.033	0.0954	0.5
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Onchocerca volvulus		0.0375	0.1187	0.1021
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0147	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Echinococcus multilocularis	G protein coupled receptor 139	0.042	0.142	0.142
Brugia malayi	glutaminase DH11.1	0.033	0.0954	0.0954
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Brugia malayi	Animal haem peroxidase family protein	0.2066	1	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0375	0.1187	0.1187
Toxoplasma gondii	EGF family domain-containing protein	0.0375	0.1187	1
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Echinococcus granulosus	peroxidasin	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus		0.0375	0.1187	0.1021
Echinococcus multilocularis	protein jagged 2	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus	Neurogenic locus notch homolog	0.0375	0.1187	0.1021
Echinococcus multilocularis	neuropeptide receptor	0.042	0.142	0.142
Schistosoma mansoni	notch	0.0375	0.1187	0.1187
Loa Loa (eye worm)	glutaminase	0.033	0.0954	0.0954
Onchocerca volvulus	Peroxidasin homolog	0.2066	1	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0147	0	0.5
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0147	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus		0.2066	1	1
Schistosoma mansoni	septate junction protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus		0.0375	0.1187	0.1021
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0147	0	0.5
Loa Loa (eye worm)	notch protein	0.0375	0.1187	0.1187
Echinococcus granulosus	delta-like protein 1	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Echinococcus multilocularis	protein jagged 1	0.0375	0.1187	0.1187
Echinococcus multilocularis	neurogenic locus notch protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	blistered cuticle protein 3	0.2066	1	1
Onchocerca volvulus	Chorion peroxidase homolog	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Echinococcus multilocularis	protein jagged 1	0.0375	0.1187	0.1187
Echinococcus granulosus	neurogenic locus notch protein 4	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0147	0	0.5
Echinococcus granulosus	protein jagged 1	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Echinococcus multilocularis	fibropellin Ia	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0147	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus	Dual oxidase homolog	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Schistosoma mansoni	peroxidasin	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Schistosoma mansoni	notch	0.0375	0.1187	0.1187
Mycobacterium ulcerans	glutaminase	0.033	0.0954	0.5
Onchocerca volvulus		0.0375	0.1187	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0185	0.0185
Loa Loa (eye worm)	Notch2	0.0375	0.1187	0.1187
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Onchocerca volvulus	Peroxidasin homolog	0.2066	1	1
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Brugia malayi	Blistered cuticle protein 3	0.2066	1	1
Brugia malayi	Cadherin domain containing protein	0.0375	0.1187	0.1187
Echinococcus granulosus	protein jagged 1	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Giardia lamblia	High cysteine protein	0.0375	0.1187	0.5
Schistosoma mansoni	peroxidasin	0.2066	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0375	0.1187	0.1187
Brugia malayi	Animal haem peroxidase family protein	0.2066	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.2066	1	1
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Echinococcus granulosus	neurogenic locus protein delta	0.0375	0.1187	0.1187
Brugia malayi	notch-like transmembrane receptor	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Schistosoma mansoni	laminin gamma-3 chain	0.0375	0.1187	0.1187
Brugia malayi	Peroxidasin	0.2066	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0375	0.1187	0.1187
Echinococcus multilocularis	notch	0.0375	0.1187	0.1187
Onchocerca volvulus		0.2066	1	1
Brugia malayi	Cadherin domain containing protein	0.0375	0.1187	0.1187
Echinococcus granulosus	protein jagged 2	0.0375	0.1187	0.1187
Schistosoma mansoni	slit	0.0375	0.1187	0.1187
Schistosoma mansoni	notch	0.0375	0.1187	0.1187
Echinococcus multilocularis	neurogenic locus protein delta	0.0375	0.1187	0.1187
Echinococcus multilocularis	neurogenic locus protein delta	0.0375	0.1187	0.1187
Onchocerca volvulus	Putative cubilin	0.0375	0.1187	0.1021
Brugia malayi	Calcium binding EGF domain containing protein	0.0375	0.1187	0.1187
Brugia malayi	hypothetical protein	0.0182	0.0185	0.0185
Echinococcus granulosus	notch	0.0375	0.1187	0.1187
Echinococcus multilocularis	slit 2 protein	0.0375	0.1187	0.1187
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0375	0.1187	0.1187
Schistosoma mansoni	glutaminase	0.033	0.0954	0.0954
Echinococcus granulosus	fibropellin Ia	0.0375	0.1187	0.1187
Echinococcus granulosus	neural cadherin	0.0375	0.1187	0.1187
Schistosoma mansoni	notch	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Echinococcus granulosus	neuropeptide receptor	0.042	0.142	0.142
Echinococcus granulosus	slit 2 protein	0.0375	0.1187	0.1187
Onchocerca volvulus	Peroxidase homolog	0.2066	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Brugia malayi	Animal haem peroxidase family protein	0.2066	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.2066	1	1
Echinococcus multilocularis	neural cadherin	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Brugia malayi	Calcium binding EGF domain containing protein	0.0375	0.1187	0.1187
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Schistosoma mansoni	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus		0.0375	0.1187	0.1021
Onchocerca volvulus	Slit protein homolog	0.0375	0.1187	0.1021
Schistosoma mansoni	neuropeptide receptor	0.042	0.142	0.142
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0147	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Loa Loa (eye worm)	glutaminase 2	0.033	0.0954	0.0954
Echinococcus multilocularis	peroxidasin	0.2066	1	1
Brugia malayi	Muscle positioning protein 4	0.0375	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Onchocerca volvulus		0.2066	1	1
Brugia malayi	Animal haem peroxidase family protein	0.2066	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.2066	1	1
Onchocerca volvulus	Peroxidase homolog	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1187	0.1187
Echinococcus multilocularis	neurogenic locus notch protein	0.0375	0.1187	0.1187
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0147	0	0.5
Brugia malayi	Animal haem peroxidase family protein	0.2066	1	1
Schistosoma mansoni	notch	0.0375	0.1187	0.1187
Brugia malayi	EGF-like domain containing protein	0.0375	0.1187	0.1187
Schistosoma mansoni	notch	0.0375	0.1187	0.1187

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.746	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.548	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.257	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.061	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.056	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.919	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.787	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.679	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.643	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	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: CHEMBL1987066

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 1650915