TDR Targets

Basic information

Technical information

TDR Targets ID: 759637
Name: 3-[(4-propan-2-ylphenyl)amino]-3H-2-benzofura n-1-one
MW: 267.322 | Formula: C17H17NO2
H donors: 1 H acceptors: 1 LogP: 4.28 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1ccc(cc1)NC1OC(=O)c2c1cccc2)C
InChi: 1S/C17H17NO2/c1-11(2)12-7-9-13(10-8-12)18-16-14-5-3-4-6-15(14)17(19)20-16/h3-11,16,18H,1-2H3
InChiKey: YFVATWCOENFXNO-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

3-[(4-isopropylphenyl)amino]-3H-isobenzofuran-1-one
EU-0014041
3-(4-Isopropyl-phenylamino)-3H-isobenzofuran-1-one
BAS 05896205

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
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0155	0.0155
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0155	0.0155
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0155	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.1359	0.5923
Loa Loa (eye worm)	hepatopoietin HPO2	0.0104	0.2693	0.295
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0575	0.0575
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.1068	0.0837
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	0.5
Leishmania major	hypothetical protein, conserved	0.0035	0.0578	0.1664
Echinococcus granulosus	lamin	0.0028	0.0351	0.0351
Brugia malayi	Importin beta-1 subunit	0.0029	0.0394	0.0582
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0078	0.1897	0.7044
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Leishmania major	hypothetical protein, conserved	0.0104	0.2693	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1081	0.1597
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0869	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1897	0.2078
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0869	0.0952
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0578	0.1634
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.1897	0.7044
Brugia malayi	beta-lactamase family protein	0.0035	0.0578	0.0854
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0394	0.0431
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0394	0.1462
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	0.5
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0394	0.1462
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0869	0.1285
Schistosoma mansoni	peptidase Clp (S14 family)	0.0078	0.1897	0.1897
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1081	0.1597
Brugia malayi	Probable ClpP-like protease	0.0078	0.1897	0.2804
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0078	0.1897	0.1897
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0394	0.1462
Schistosoma mansoni	hypothetical protein	0.0035	0.0575	0.0575
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0975	0.1441
Schistosoma mansoni	hypothetical protein	0.0035	0.0578	0.0578
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0869	0.0869
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.1359	0.1359
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0155	0.017
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0223	0.1602
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Schistosoma mansoni	lamin	0.0028	0.0351	0.0351
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.032	0.1188
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0394	0.1462
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0104	0.2693	0.2693
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.1359	0.4744
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0394	0.0394
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.1068	0.0837
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0155	0.0577
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0155	0.0577
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	1
Schistosoma mansoni	ran	0.0022	0.0155	0.0155
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0578	0.2145
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1081	0.1184
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Onchocerca volvulus		0.0035	0.0578	0.5925
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0578	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0351	0.0385
Schistosoma mansoni	hypothetical protein	0.0342	1	1
Schistosoma mansoni	hypothetical protein	0.0342	1	1
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0104	0.2693	1
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0104	0.2693	0.2693
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0394	0.0394
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0578	0.0854
Onchocerca volvulus		0.0028	0.0351	0.3601
Trichomonas vaginalis	esterase, putative	0.0035	0.0578	1
Brugia malayi	RNA, U transporter 1	0.0083	0.2058	0.3042
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.1359	0.1359
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	0.7044
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0351	0.0351
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.032	0.1188
Schistosoma mansoni	ran	0.0022	0.0155	0.0155
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0104	0.2693	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0575	0.0575
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0351	0.0519
Echinococcus multilocularis	geminin	0.0342	1	1
Echinococcus multilocularis	snurportin 1	0.0313	0.9128	0.9128
Schistosoma mansoni	lamin	0.0028	0.0351	0.0351
Schistosoma mansoni	importin beta-1	0.0029	0.0394	0.0394
Schistosoma mansoni	hypothetical protein	0.0048	0.0975	0.0975
Entamoeba histolytica	hypothetical protein	0.0024	0.0223	0.1611
Toxoplasma gondii	Erv1 / Alr family protein	0.0104	0.2693	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0104	0.2693	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0223	0.0828
Plasmodium falciparum	importin beta, putative	0.0029	0.0394	0.1462
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0104	0.2693	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0578	0.2145
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.6765	0.6765
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0578	0.0633
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0155	0.023
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0578	0.2145
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.1359	0.5923
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0078	0.1897	0.1897
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.1359	0.1359
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.1068	0.4744
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0578	0.0633
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0578	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0578	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0869	0.0869
Brugia malayi	beta-lactamase family protein	0.0035	0.0578	0.0854
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0078	0.1897	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.1897	0.7044
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0223	0.1602
Loa Loa (eye worm)	hypothetical protein	0.0236	0.6765	0.7412
Echinococcus granulosus	intermediate filament protein	0.0028	0.0351	0.0351
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.6433	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0578	0.0633
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0155	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0578	0.0578
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0104	0.2693	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.1359	0.5047
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0223	0.0266
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0578	0.0578
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0155	0.0577
Echinococcus multilocularis	lamin dm0	0.0028	0.0351	0.0351
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0104	0.2693	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0351	0.0385
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0578	0.0578
Brugia malayi	intermediate filament protein	0.0028	0.0351	0.0519
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0869	0.0869
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0578	0.2145
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	1
Brugia malayi	hypothetical protein	0.0035	0.0575	0.085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0869	0.0869
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0869	0.0869
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.1359	0.1359
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0575	0.0575
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.1359	0.5923
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0155	0.0577
Toxoplasma gondii	ABC1 family protein	0.0035	0.0578	0.2145
Onchocerca volvulus		0.0048	0.0975	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0351	0.0385
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0869	0.0869
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0578	0.1634
Echinococcus granulosus	lamin dm0	0.0028	0.0351	0.0351
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.1359	0.1334
Brugia malayi	Augmenter of liver regeneration	0.0104	0.2693	0.398
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1081	0.1184
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0578	0.0578
Onchocerca volvulus		0.0035	0.0578	0.5925
Echinococcus granulosus	snurportin 1	0.0313	0.9128	0.9128
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0335	0.0367
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0578	1
Toxoplasma gondii	hypothetical protein	0.0027	0.032	0.1188
Echinococcus multilocularis	musashi	0.0028	0.0351	0.0351
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.1068	0.1068
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0313	0.9128	1
Onchocerca volvulus		0.0035	0.0578	0.5925
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0104	0.2693	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1897	0.5
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0975	0.0975
Onchocerca volvulus		0.0028	0.0351	0.3601
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.1068	0.1068
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0223	0.1602
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0578	0.0854
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.6765	0.6765
Brugia malayi	beta-lactamase	0.0035	0.0578	0.0854
Echinococcus multilocularis	lamin	0.0028	0.0351	0.0351
Brugia malayi	hypothetical protein	0.0236	0.6765	1
Schistosoma mansoni	hypothetical protein	0.0313	0.9128	0.9128
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0155	0.0577

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 759637