TDR Targets

Basic information

Technical information

TDR Targets ID: 693357
Name: 2-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-furan -2-ylethyl]benzamide
MW: 366.841 | Formula: C21H19ClN2O2
H donors: 1 H acceptors: 1 LogP: 4.31 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1Cl)NCC(N1CCc2c1cccc2)c1ccco1
InChi: 1S/C21H19ClN2O2/c22-17-8-3-2-7-16(17)21(25)23-14-19(20-10-5-13-26-20)24-12-11-15-6-1-4-9-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)
InChiKey: CRZGYCKYRPRCCI-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-chloro-N-[2-(2-furyl)-2-indolin-1-yl-ethyl]benzamide
2-chloro-N-[2-(2-furyl)-2-(1-indolinyl)ethyl]benzamide
2-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-furan-2-yl-ethyl]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	TAR-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)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	RNA recognition motif 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
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 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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
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
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	phd finger protein, putative	0.003	0.0116	0.7532
Loa Loa (eye worm)	hypothetical protein	0.003	0.0116	0.0329
Trypanosoma brucei	pyruvate kinase 1	0.0034	0.0153	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0377	0.1067
Chlamydia trachomatis	pyruvate kinase	0.0034	0.0153	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0377	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0041	0.023	0.0652
Trypanosoma brucei	pyruvate kinase 1, putative	0.0034	0.0153	1
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0096	0.0096
Echinococcus granulosus	pyruvate kinase	0.0034	0.0153	0.0433
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0598	0.1694
Schistosoma mansoni	hypothetical protein	0.0041	0.023	0.0782
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0302	0.2942	0.833
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0116	0.0581
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0116	0.0116
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0832	0.2357
Brugia malayi	TAR-binding protein	0.0076	0.0598	0.1694
Brugia malayi	Importin beta-1 subunit	0.0028	0.0096	0.0271
Schistosoma mansoni	hypothetical protein	0.0154	0.1405	0.4776
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0096	0.0474
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.024	0.0678
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0153	0.0433
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0183	0.0517
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0116	0.0395
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.0153	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0005	0.0013
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.0153	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0429	0.1213
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.0153	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0183	0.0621
Mycobacterium ulcerans	pyruvate kinase	0.0034	0.0153	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0096	0.6147
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0183	0.0517
Echinococcus multilocularis	geminin	0.0171	0.1586	0.1586
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0116	0.7532
Leishmania major	pyruvate kinase	0.0034	0.0153	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.0153	0.0433
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.004	0.2395
Echinococcus multilocularis	peregrin	0.003	0.0116	0.0116
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0598	0.1694
Schistosoma mansoni	hypothetical protein	0.0171	0.1586	0.5392
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0116	0.0581
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0598	0.2034
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0096	0.0271
Brugia malayi	Bromodomain containing protein	0.003	0.0116	0.0329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0377	0.1281
Schistosoma mansoni	hypothetical protein	0.0171	0.1586	0.5392
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0005	0.5
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.0153	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0096	0.0271
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0598	0.2034
Schistosoma mansoni	pyruvate kinase	0.0034	0.0153	0.052
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.0153	0.0433
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.023	0.0652
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0429	0.1213
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0096	0.6147
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.004	0.2395
Loa Loa (eye worm)	pyruvate kinase-PB	0.0024	0.0047	0.0132
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0116	0.0329
Schistosoma mansoni	ap endonuclease	0.0019	0.0005	0.0016
Echinococcus granulosus	geminin	0.0171	0.1586	0.4491
Schistosoma mansoni	importin beta-1	0.0028	0.0096	0.0326
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0832	0.0832
Toxoplasma gondii	hypothetical protein	0.0204	0.1928	1
Brugia malayi	RNA binding protein	0.0076	0.0598	0.1694
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0005	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0341	0.0966
Toxoplasma gondii	pyruvate kinase PyK1	0.0034	0.0153	0.0771
Brugia malayi	RNA, U transporter 1	0.008	0.0638	0.1807
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.0153	1
Entamoeba histolytica	hypothetical protein	0.0023	0.004	0.8457
Entamoeba histolytica	pyruvate kinase, putative	0.0024	0.0047	1
Echinococcus granulosus	peregrin	0.003	0.0116	0.0329
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0598	0.2034
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.024	0.024
Schistosoma mansoni	hypothetical protein	0.0154	0.1405	0.4776
Schistosoma mansoni	hypothetical protein	0.0204	0.1928	0.6555
Schistosoma mansoni	hypothetical protein	0.003	0.0116	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0047	0.0132
Schistosoma mansoni	ap endonuclease	0.0019	0.0005	0.0016
Echinococcus multilocularis	pyruvate kinase	0.0027	0.0079	0.0079
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.0153	1
Echinococcus multilocularis	WD repeat containing protein 48	0.0358	0.3532	0.3532
Echinococcus granulosus	WD repeat containing protein 48	0.0358	0.3532	1
Echinococcus granulosus	snurportin 1	0.0302	0.2942	0.833
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0377	0.0377
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0451	0.1278
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.0153	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0598	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0358	0.3532	1
Plasmodium falciparum	pyruvate kinase	0.0034	0.0153	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0598	0.1694
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0183	0.0621
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0153	0.0433
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0116	0.0329
Leishmania major	pyruvate kinase	0.0034	0.0153	1
Schistosoma mansoni	hypothetical protein	0.0302	0.2942	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0429	0.1213
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0377	0.1067
Echinococcus multilocularis	pyruvate kinase	0.0034	0.0153	0.0153
Brugia malayi	PHD-finger family protein	0.003	0.0116	0.0329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0377	0.1281
Echinococcus granulosus	pyruvate kinase	0.0034	0.0153	0.0433
Plasmodium falciparum	importin beta, putative	0.0028	0.0096	0.6147
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0598	0.1694
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0096	0.6147
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0598	0.0598
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.004	0.2395
Giardia lamblia	PHD finger protein 15	0.003	0.0116	0.7532
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0005	0.0013
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.004	0.2395
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.0153	1
Schistosoma mansoni	pyruvate kinase	0.0034	0.0153	0.052
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0183	0.0183
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.0153	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0153	0.0433
Giardia lamblia	Pyruvate kinase	0.0034	0.0153	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.004	0.2395
Echinococcus multilocularis	snurportin 1	0.0302	0.2942	0.2942
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0005	0.5
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0005	0.0005
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.0621	0.2109
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0598	0.2034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0377	0.1281
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.0153	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0429	0.1213
Brugia malayi	Hypothetical WD-repeat protein F35G12.4 in chromosome III	0.0358	0.3532	1
Brugia malayi	jmjC domain containing protein	0.0037	0.0183	0.0517
Brugia malayi	jmjC domain containing protein	0.0099	0.0832	0.2357
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0377	0.0377
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0377	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0153	0.0433
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0598	0.1694
Echinococcus multilocularis	pyruvate kinase	0.0034	0.0153	0.0153

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.1961 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	19.9526 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1710511
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 693357