TDR Targets

Basic information

Technical information

TDR Targets ID: 1484831
Name: N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-4-nitr obenzamide
MW: 296.321 | Formula: C17H16N2O3
H donors: 1 H acceptors: 3 LogP: 3.79 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1ccc2c(c1)CCC2
InChi: 1S/C17H16N2O3/c1-11-9-14(6-8-16(11)19(21)22)17(20)18-15-7-5-12-3-2-4-13(12)10-15/h5-10H,2-4H2,1H3,(H,18,20)
InChiKey: IVAKOAGFRMHMMM-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

N-indan-5-yl-3-methyl-4-nitro-benzamide
N-(5-indanyl)-3-methyl-4-nitrobenzamide
N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-4-nitro-benzamide
Oprea1_704281
MLS001178615
N-(2,3-dihydro-1H-inden-5-yl)-4-nitro-3-methylbenzamide
SMR000476765
T5489452
ZINC00484452

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	vivapain-3	0.0038	0.3379	0.2757
Schistosoma mansoni	hypothetical protein	0.0041	0.3999	0.3435
Leishmania major	cathepsin L-like protease	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0024	0.0859	0.0859
Loa Loa (eye worm)	hypothetical protein	0.003	0.2007	0.1255
Brugia malayi	cathepsin F-like cysteine proteinase	0.0024	0.0859	0.0859
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Echinococcus granulosus	cathepsin l1	0.0049	0.5486	0.3182
Brugia malayi	Papain family cysteine protease containing protein	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Plasmodium vivax	vivapain-1	0.0038	0.3379	0.2757
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.3999	0.3999
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.2007	0.1255
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0038	0.3379	0.2757
Schistosoma mansoni	cathepsin F (C01 family)	0.0049	0.5486	0.5061
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0073	1	1
Loa Loa (eye worm)	ctsf protein	0.0073	1	1
Plasmodium vivax	vivapain-2	0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0038	0.3379	0.1717
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0038	0.3379	0.2757
Echinococcus granulosus	cathepsin l1	0.0073	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0073	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0073	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.2007	0.1255
Brugia malayi	Cathepsin L-like precursor	0.0049	0.5486	0.5486
Plasmodium vivax	unspecified product	0.0038	0.3379	0.2757
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3999	0.3435
Brugia malayi	Cathepsin L-like precursor	0.0073	1	1
Brugia malayi	Cathepsin L-like precursor	0.0049	0.5486	0.5486
Echinococcus multilocularis	cathepsin L cysteine protease	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0073	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.5486	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0073	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0073	1	1
Loa Loa (eye worm)	fibroinase	0.0073	1	1
Loa Loa (eye worm)	cysteine protease	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Brugia malayi	Cathepsin L-like precursor	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Plasmodium vivax	vivapain-2	0.0073	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0073	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.2007	0.1255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Brugia malayi	cathepsin L-like precursor	0.0049	0.5486	0.5486
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.7542	0.7311
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.5486	0.3182
Trypanosoma cruzi	cysteine proteinase, putative	0.0038	0.3379	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Echinococcus multilocularis	cysteine protease	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0073	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0038	0.3379	0.2757
Trypanosoma cruzi	cysteine protease, putative	0.0038	0.3379	0.2757
Brugia malayi	hypothetical protein	0.003	0.2007	0.2007
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0038	0.3379	0.2757
Leishmania major	cysteine peptidase A (CPA)	0.0073	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	1	1
Echinococcus multilocularis	cysteine protease	0.0073	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0038	0.3379	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0073	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.7542	0.7542
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0073	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.7542	0.7542
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.5486	0.5061
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.7542	0.7311
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0038	0.3379	0.1717
Toxoplasma gondii	cathepsin CPL	0.0073	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.5486	0.5061
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0049	0.5486	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0049	0.5486	0.5061
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0038	0.3379	0.2757
Brugia malayi	Cathepsin L-like precursor	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.3379	0.3379
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.5486	0.5061
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Brugia malayi	Cathepsin L-like precursor	0.0073	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0073	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0073	1	1
Brugia malayi	Cathepsin L-like precursor	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0859	0.0859
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0049	0.5486	0.5486
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.3379	0.3379
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0073	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	1	1
Leishmania major	cathepsin L-like protease	0.0073	1	1
Onchocerca volvulus		0.0073	1	1
Entamoeba histolytica	cysteine protease, putative	0.0073	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0038	0.3379	0.1717
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0073	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	2.5119 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1726908

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1484831