TDR Targets

Basic information

Technical information

TDR Targets ID: 804927
Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloroph enyl)amino]-3H-isoindol-1-one
MW: 392.835 | Formula: C22H17ClN2O3
H donors: 1 H acceptors: 1 LogP: 4.7 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)NC1N(Cc2ccc3c(c2)OCO3)C(=O)c2c1cccc2
InChi: 1S/C22H17ClN2O3/c23-15-6-8-16(9-7-15)24-21-17-3-1-2-4-18(17)22(26)25(21)12-14-5-10-19-20(11-14)28-13-27-19/h1-11,21,24H,12-13H2
InChiKey: LFLBGWBVHNRSBD-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

2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)amino]isoindolin-1-one
2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorophenyl)amino]-1-isoindolinone

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	chromobox protein, putative	0.007	0.1001	0.4396
Onchocerca volvulus		0.0089	0.1485	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.1485	0.5986
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0292	0.0426
Echinococcus multilocularis	chromobox protein 1	0.007	0.1001	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0216	0.0294
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0184	0.3926	0.4197
Schistosoma mansoni	chromobox protein	0.007	0.1001	0.0616
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.2002	0.5
Schistosoma mansoni	6-phosphofructokinase	0.0109	0.2002	0.166
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.1981	0.8342
Loa Loa (eye worm)	6-phosphofructokinase	0.0109	0.2002	0.2724
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0089	0.1485	0.5986
Schistosoma mansoni	tyrosinase precursor	0.0422	1	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0089	0.1485	0.2021
Schistosoma mansoni	chromobox protein	0.007	0.1001	0.0616
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.2002	1
Echinococcus multilocularis	6 phosphofructokinase	0.0109	0.2002	0.19
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.1981	0.8342
Brugia malayi	Heterochromatin protein 1	0.007	0.1001	0.3703
Plasmodium vivax	histone deacetylase, putative	0.0059	0.0716	1
Echinococcus multilocularis	histone deacetylase 6	0.0059	0.0716	0.0365
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.1981	0.8342
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0109	0.2002	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0427	0.0582
Brugia malayi	Histone deacetylase family protein	0.0059	0.0716	0.2357
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0427	0.0582
Brugia malayi	phosphofructokinase	0.0109	0.2002	0.8424
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0576	0.0198
Brugia malayi	Thioredoxin reductase	0.0047	0.0427	0.0996
Echinococcus multilocularis	histone deacetylase 7	0.0059	0.0716	0.0365
Echinococcus granulosus	chromobox protein 1	0.007	0.1001	0.0706
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0292	0.1969
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.2289	1
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.041	0.0558
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0576	0.1696
Schistosoma mansoni	hypothetical protein	0.0166	0.3462	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.0558
Echinococcus multilocularis	expressed protein	0.0375	0.8787	1
Echinococcus multilocularis	geminin	0.0166	0.3462	0.3643
Trichomonas vaginalis	chromobox protein, putative	0.007	0.1001	0.4396
Loa Loa (eye worm)	hypothetical protein	0.0318	0.735	1
Trypanosoma cruzi	histone deacetylase, putative	0.0059	0.0716	0.1832
Mycobacterium ulcerans	6-phosphofructokinase	0.0109	0.2002	0.5
Schistosoma mansoni	6-phosphofructokinase	0.0109	0.2002	0.166
Echinococcus granulosus	expressed protein	0.0375	0.8787	1
Mycobacterium tuberculosis	Probable reductase	0.0108	0.1981	0.8342
Brugia malayi	ShTK domain containing protein	0.0089	0.1485	0.5986
Schistosoma mansoni	histone deacetylase hda2	0.0059	0.0716	0.0319
Leishmania major	ATP-dependent phosphofructokinase	0.0109	0.2002	1
Echinococcus multilocularis	chromobox protein 1	0.007	0.1001	0.0706
Echinococcus granulosus	histone deacetylase 6	0.0059	0.0716	0.0365
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.1981	0.8342
Schistosoma mansoni	hypothetical protein	0.0285	0.6482	0.6332
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.2002	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.0059	0.0716	0.1832
Brugia malayi	6-phosphofructokinase	0.0109	0.2002	0.8424
Echinococcus granulosus	geminin	0.0166	0.3462	0.3643
Loa Loa (eye worm)	phosphofructokinase	0.0109	0.2002	0.2724
Echinococcus multilocularis	histone deacetylase 6	0.0059	0.0716	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1485	0.2021
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0109	0.2002	0.0695
Schistosoma mansoni	histone deacetylase 4 5	0.0059	0.0716	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0265	0.036
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0427	0.002
Plasmodium falciparum	histone deacetylase, putative	0.0059	0.0716	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0089	0.1485	0.2021
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0109	0.2002	0.8458
Brugia malayi	Histone deacetylase family protein	0.0059	0.0716	0.2357
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.1981	0.8342
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.2289	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0216	0.1457
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.041	0.2763
Echinococcus granulosus	histone deacetylase 6	0.0059	0.0716	0.0365
Plasmodium vivax	histone deacetylase 2, putative	0.0059	0.0716	1
Onchocerca volvulus		0.0089	0.1485	1
Trypanosoma brucei	histone deacetylase, putative	0.0059	0.0716	0.1832
Brugia malayi	6-phosphofructokinase	0.0109	0.2002	0.8424
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.2002	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0576	0.0198
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0292	0.0426
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0576	0.0173
Schistosoma mansoni	hypothetical protein	0.0166	0.3462	0.3182
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0427	0.002
Brugia malayi	mbt repeat family protein	0.0047	0.041	0.0915
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.1485	0.5986
Echinococcus multilocularis	histone deacetylase	0.0059	0.0716	0.0365
Onchocerca volvulus		0.0047	0.041	0.2763
Onchocerca volvulus		0.0089	0.1485	1
Toxoplasma gondii	histone deacetylase HDAC1	0.0059	0.0716	1
Brugia malayi	hypothetical protein	0.0122	0.2336	1
Trypanosoma brucei	histone deacetylase 4	0.0059	0.0716	0.1832
Schistosoma mansoni	histone deacetylase 4 5	0.0059	0.0716	0.0319
Echinococcus granulosus	6 phosphofructokinase	0.0109	0.2002	0.19
Trypanosoma cruzi	histone deacetylase, putative	0.0059	0.0716	0.1832
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.2289	1
Echinococcus granulosus	histone deacetylase 6	0.0059	0.0716	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0265	0.036
Brugia malayi	mbt repeat family protein	0.0047	0.041	0.0915
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.2002	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0576	0.0198
Loa Loa (eye worm)	6-phosphofructokinase	0.0109	0.2002	0.2724
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.2289	1
Brugia malayi	glutathione reductase	0.0047	0.0427	0.0996
Loa Loa (eye worm)	tyrosinase 1	0.0089	0.1485	0.2021
Loa Loa (eye worm)	histone deacetylase 7A	0.0059	0.0716	0.0974
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.1485	0.5986
Loa Loa (eye worm)	MBCTL1	0.0053	0.0576	0.0783
Loa Loa (eye worm)	histone deacetylase	0.0059	0.0716	0.0974
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.1001	0.1363
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0109	0.2002	1
Trypanosoma brucei	histone deacetylase 3	0.0059	0.0716	0.1832
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0576	0.0198
Plasmodium falciparum	histone deacetylase 2	0.0059	0.0716	1
Leishmania major	histone deacetylase, putative	0.0059	0.0716	0.1832
Echinococcus multilocularis	histone deacetylase 6	0.0059	0.0716	0.0365
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0109	0.2002	1
Onchocerca volvulus		0.0089	0.1485	1
Brugia malayi	Common central domain of tyrosinase family protein	0.0089	0.1485	0.5986
Echinococcus granulosus	chromobox protein 1	0.007	0.1001	0.0706
Echinococcus granulosus	histone deacetylase	0.0059	0.0716	0.0365
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.2002	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0576	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1485	0.2021
Echinococcus granulosus	histone deacetylase 7	0.0059	0.0716	0.0365
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.2002	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0184	0.3926	0.4197
Leishmania major	histone deacetylase, putative	0.0059	0.0716	0.1832

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.

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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 804927