TDR Targets

Basic information

Technical information

TDR Targets ID: 1315441
Name: N-[2-(2,3-dihydroindol-1-yl)-2-furan-2-ylethy l]-3-nitrobenzamide
MW: 377.393 | Formula: C21H19N3O4
H donors: 1 H acceptors: 3 LogP: 3.51 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccc(c1)[N+](=O)[O-])NCC(N1CCc2c1cccc2)c1ccco1
InChi: 1S/C21H19N3O4/c25-21(16-6-3-7-17(13-16)24(26)27)22-14-19(20-9-4-12-28-20)23-11-10-15-5-1-2-8-18(15)23/h1-9,12-13,19H,10-11,14H2,(H,22,25)
InChiKey: SRQNPSISFSAWKP-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-[2-(2-furyl)-2-indolin-1-yl-ethyl]-3-nitro-benzamide
N-[2-(2-furyl)-2-(1-indolinyl)ethyl]-3-nitrobenzamide
N-[2-(2,3-dihydroindol-1-yl)-2-furan-2-yl-ethyl]-3-nitro-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
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
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0112	0.5215	1
Onchocerca volvulus		0.0018	0.03	0.0822
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.03	0.03
Echinococcus granulosus	cathepsin l1	0.0018	0.03	0.03
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0112	0.5215	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.1235	0.2368
Brugia malayi	Cathepsin L-like precursor	0.0018	0.03	0.0575
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	hypothetical protein	0.0036	0.1235	0.1235
Onchocerca volvulus		0.0018	0.03	0.0822
Brugia malayi	Cathepsin L-like precursor	0.0018	0.03	0.0575
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Brugia malayi	RNA binding protein	0.0076	0.3358	0.6438
Loa Loa (eye worm)	hypothetical protein	0.0077	0.3373	0.6467
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3358	0.3358
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	hypothetical protein	0.0036	0.1235	0.1235
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.1235	0.0964
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2851	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.2551	0.8824
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3358	0.6438
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Loa Loa (eye worm)	cysteine protease	0.0018	0.03	0.0575
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3358	0.3358
Schistosoma mansoni	hypothetical protein	0.0036	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0112	0.5215	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.03	0.0575
Brugia malayi	Cathepsin L-like precursor	0.0018	0.03	0.0575
Onchocerca volvulus		0.0018	0.03	0.0822
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3358	0.3358
Brugia malayi	Cathepsin L-like precursor	0.0018	0.03	0.0575
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	ap endonuclease	0.002	0.0412	0.0412
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.1235	0.2368
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3358	0.3358
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0412	0.5
Entamoeba histolytica	cysteine protease, putative	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0412	0.079
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0412	0.0438
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0039	0.1392	0.4279
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.03	0.0822
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0412	0.0438
Leishmania major	cathepsin L-like protease	0.0067	0.2851	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3358	0.3358
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0412	0.0438
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.3373	0.6467
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.03	0.7285
Brugia malayi	Blistered cuticle protein 3	0.0082	0.3652	0.7002
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.03	0.03
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0039	0.1392	0.4279
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.03	0.7285
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3358	0.3152
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.03	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1235	0.2368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	ap endonuclease	0.002	0.0412	0.0412
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.1235	0.2368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Onchocerca volvulus		0.0018	0.03	0.0822
Loa Loa (eye worm)	blistered cuticle protein 3	0.0082	0.3652	0.7002
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.03	0.0822
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.211	0.7098
Loa Loa (eye worm)	hypothetical protein	0.0018	0.03	0.0575
Brugia malayi	Cathepsin L-like precursor	0.0018	0.03	0.0575
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1653	0.3169
Echinococcus granulosus	GPCR family 2	0.0036	0.1235	0.1235
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0412	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.03	0.03
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0412	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3358	0.3358
Loa Loa (eye worm)	ctsf protein	0.0018	0.03	0.0575
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.03	0.03
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3358	0.6438
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.1235	0.0964
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Onchocerca volvulus		0.0018	0.03	0.0822
Onchocerca volvulus	Dual oxidase homolog	0.0082	0.3652	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0412	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2851	1
Leishmania major	cathepsin L-like protease	0.0067	0.2851	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0412	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.03	0.0575
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.2851	1
Schistosoma mansoni	hypothetical protein	0.0077	0.3373	0.3373
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0412	0.5
Toxoplasma gondii	exonuclease III APE	0.002	0.0412	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0112	0.5215	1
Brugia malayi	TAR-binding protein	0.0076	0.3358	0.6438
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0412	1
Leishmania major	cathepsin L-like protease	0.0067	0.2851	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0412	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2851	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0412	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.1235	0.1235
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3358	0.6438
Onchocerca volvulus		0.0018	0.03	0.0822
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.03	0.7285
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0039	0.1392	0.4017
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0412	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.1235	0.1235
Loa Loa (eye worm)	fibroinase	0.0018	0.03	0.0575
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0412	0.0115
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0412	0.0412
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Leishmania major	ferric reductase, putative	0.0039	0.1392	0.4279
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.03	0.7285
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.03	0.0575
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0412	0.079
Echinococcus multilocularis	GPCR, family 2	0.0036	0.1235	0.0964
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.03	0.0822
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2851	1
Onchocerca volvulus		0.0018	0.03	0.0822
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.03	0.7285
Schistosoma mansoni	hypothetical protein	0.0036	0.1235	0.1235
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3358	0.6438

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.6513 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.6234 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	25.9185 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	100 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
Plasmodium falciparum	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: CHEMBL1473174

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 1315441