TDR Targets

Basic information

Technical information

TDR Targets ID: 1319058
Name: N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-meth yl-1-oxo-3,4-dihydroisoquinoline-4-carboxamid e
MW: 399.442 | Formula: C24H21N3O3
H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1c2ccccc2C(=O)N(C1c1c[nH]c2c1cccc2)C)NCc1ccco1
InChi: 1S/C24H21N3O3/c1-27-22(19-14-25-20-11-5-4-8-16(19)20)21(17-9-2-3-10-18(17)24(27)29)23(28)26-13-15-7-6-12-30-15/h2-12,14,21-22,25H,13H2,1H3,(H,26,28)
InChiKey: CVHPFZALTXUADA-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-furylmethyl)-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
N-(2-furylmethyl)-3-(1H-indol-3-yl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxamide
MLS000090883
N-(2-furylmethyl)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMR000025486
EU-0091532

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 multilocularis	small conductance calcium activated potassium	0.0325	0.1089	0.0912
Echinococcus multilocularis	para nitrobenzyl esterase	0.0317	0.1043	0.0865
Toxoplasma gondii	phosphotransferase enzyme family protein	0.0169	0.0195	0.5
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0317	0.1043	0.0865
Echinococcus granulosus	carboxylesterase 5A	0.1875	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0317	0.1043	0.0371
Trichomonas vaginalis	spcc417.12 protein, putative	0.0317	0.1043	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0325	0.1089	0.042
Loa Loa (eye worm)	hypothetical protein	0.1875	1	1
Plasmodium vivax	choline kinase, putative	0.0169	0.0195	0.5
Echinococcus granulosus	small conductance calcium activated potassium	0.0325	0.1089	0.0912
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0317	0.1043	0.5
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0317	0.1043	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0317	0.1043	0.5
Echinococcus multilocularis	acetylcholinesterase	0.1875	1	1
Loa Loa (eye worm)	carboxylesterase	0.0317	0.1043	0.1043
Loa Loa (eye worm)	acetylcholinesterase 1	0.1875	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1875	1	1
Brugia malayi	Carboxylesterase family protein	0.0317	0.1043	0.0865
Onchocerca volvulus		0.0317	0.1043	0.5
Echinococcus granulosus	neuroligin	0.0317	0.1043	0.0865
Onchocerca volvulus		0.0317	0.1043	0.5
Loa Loa (eye worm)	hypothetical protein	0.1875	1	1
Onchocerca volvulus		0.0317	0.1043	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0317	0.1043	0.5
Brugia malayi	Carboxylesterase family protein	0.0317	0.1043	0.0865
Echinococcus multilocularis	acetylcholinesterase	0.1875	1	1
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0317	0.1043	0.0865
Plasmodium falciparum	choline kinase	0.0169	0.0195	0.5
Brugia malayi	Carboxylesterase family protein	0.1875	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0317	0.1043	0.0371
Echinococcus granulosus	acetylcholinesterase	0.1875	1	1
Echinococcus granulosus	acetylcholinesterase	0.1875	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0317	0.1043	0.0371
Schistosoma mansoni	gliotactin	0.0317	0.1043	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Echinococcus granulosus	BC026374 protein S09 family	0.0317	0.1043	0.0865
Brugia malayi	hypothetical protein	0.0317	0.1043	0.0865
Brugia malayi	Carboxylesterase family protein	0.0317	0.1043	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Schistosoma mansoni	hypothetical protein	0.0325	0.1089	0.042
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1089	0.1089
Echinococcus granulosus	para nitrobenzyl esterase	0.0317	0.1043	0.0865
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0169	0.0195	0.0195
Schistosoma mansoni	acetylcholinesterase	0.0317	0.1043	0.0371
Echinococcus multilocularis	neuroligin	0.0317	0.1043	0.0865
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0317	0.1043	0.0371
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0317	0.1043	0.0865
Mycobacterium ulcerans	carboxylesterase, LipT	0.0317	0.1043	0.5
Loa Loa (eye worm)	carboxylesterase	0.1875	1	1
Brugia malayi	Carboxylesterase family protein	0.0317	0.1043	0.0865
Echinococcus multilocularis	carboxylesterase 5A	0.1875	1	1
Loa Loa (eye worm)	hypothetical protein	0.0317	0.1043	0.1043
Schistosoma mansoni	BC026374 protein (S09 family)	0.0317	0.1043	0.0371
Loa Loa (eye worm)	carboxylesterase	0.0317	0.1043	0.1043
Onchocerca volvulus		0.0317	0.1043	0.5
Onchocerca volvulus		0.0317	0.1043	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.9433 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)	16.5113 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
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: CHEMBL1438568

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 1319058