TDR Targets

Basic information

Technical information

TDR Targets ID: 897030
Name: O3'-methyl O5'-(phenylmethyl) 2'-amino-1,6'-d imethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-d icarboxylate
MW: 434.441 | Formula: C24H22N2O6
H donors: 1 H acceptors: 3 LogP: 2.58 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(N)OC(=C(C21c1ccccc1N(C2=O)C)C(=O)OCc1ccccc1)C
InChi: 1S/C24H22N2O6/c1-14-18(22(28)31-13-15-9-5-4-6-10-15)24(19(20(25)32-14)21(27)30-3)16-11-7-8-12-17(16)26(2)23(24)29/h4-12H,13,25H2,1-3H3
InChiKey: JFOIELPKRAEHRQ-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

O3'-methyl O5'-(phenylmethyl) 2'-amino-1,6'-dimethyl-2-oxo-spiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylic acid O3'-methyl O5'-(phenylmethyl) ester
2'-amino-2-keto-1,6'-dimethyl-spiro[indoline-3,4'-pyran]-3',5'-dicarboxylic acid O5'-(benzyl) O3'-methyl ester
O3'-methyl O5'-(phenylmethyl) 2'-amino-1,6'-dimethyl-2-oxo-spiro[indole-3,4'-pyran]-3',5'-dicarboxylate
EU-0080376

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1022	0.7204
Toxoplasma gondii	ABC1 family protein	0.0042	0.1127	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0525	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.1418	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1022	0.7204
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1127	0.7945
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1127	0.1342
Brugia malayi	TAR-binding protein	0.0207	0.7557	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0526	0.3713
Onchocerca volvulus		0.0042	0.1127	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1127	0.1342
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.1127	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0526	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Mycobacterium ulcerans	lipase LipD	0.0042	0.1127	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.7557	1
Giardia lamblia	GTOR	0.005	0.1418	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.1127	0.1342
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.005	0.1418	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.004	0.1023	0.6934
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.1127	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0139	0.4925	0.6456
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0627	0.4418
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.005	0.1418	1
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.7557	1
Brugia malayi	RNA recognition motif domain containing protein	0.0207	0.7557	1
Schistosoma mansoni	hypothetical protein	0.0129	0.452	0.5911
Trypanosoma cruzi	target of rapamycin kinase 3	0.004	0.1023	0.6934
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.1127	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1127	0.7737
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1127	0.1342
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.005	0.1418	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1127	0.7737
Loa Loa (eye worm)	phosphatidylinositol 3	0.005	0.1418	0.1734
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1022	0.7204
Loa Loa (eye worm)	beta-lactamase	0.0042	0.1127	0.1342
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.004	0.1023	0.6934
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.1127	0.1342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.013	0.0916
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1127	0.1342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.1135	0.8002
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.1127	0.7737
Trichomonas vaginalis	esterase, putative	0.0042	0.1127	0.7945
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0525	0.3702
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.005	0.1418	1
Brugia malayi	beta-lactamase	0.0042	0.1127	0.1342
Echinococcus multilocularis	tar DNA binding protein	0.0207	0.7557	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0638	0.4499
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.005	0.1418	0.1734
Brugia malayi	beta-lactamase family protein	0.0042	0.1127	0.1342
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.1127	0.1342
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.452	0.5911
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1127	0.1342
Loa Loa (eye worm)	RNA binding protein	0.0207	0.7557	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.1127	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1022	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1022	0.7204
Mycobacterium ulcerans	hypothetical protein	0.0042	0.1127	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0526	0.3713
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.452	0.5911
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1127	0.1342
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.4925	0.6456
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.005	0.1418	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.005	0.1418	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.005	0.1418	0.1734
Loa Loa (eye worm)	TAR-binding protein	0.0207	0.7557	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.013	0.0916
Onchocerca volvulus		0.0042	0.1127	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1127	0.7945
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.7557	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.1418	1
Mycobacterium ulcerans	beta-lactamase	0.0042	0.1127	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.005	0.1418	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.005	0.1418	0.1734
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0021	0.0285	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.078	0.5501
Leishmania major	hypothetical protein, conserved	0.0042	0.1127	0.7737
Echinococcus granulosus	tar DNA binding protein	0.0207	0.7557	1
Brugia malayi	beta-lactamase family protein	0.0042	0.1127	0.1342
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0397	0.207
Mycobacterium leprae	Probable lipase LipE	0.0042	0.1127	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0525	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0526	0.3713
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.005	0.1418	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.005	0.1418	0.1734
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.7557	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0207	0.7557	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0627	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0638	0.4499
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1127	0.1342
Brugia malayi	RNA binding protein	0.0207	0.7557	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1127	0.1342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.013	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0738	0.5205
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.4925	0.6456
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.7557	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1127	0.7945
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.013	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0921	0.6498
Onchocerca volvulus		0.0042	0.1127	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0638	0.4499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.1418	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.013	0.0916
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1127	0.7945
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1127	0.7945
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.1127	0.1342

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 897030