TDR Targets

Basic information

Technical information

TDR Targets ID: 1359520
Name: 6,7-dimethyl-4-oxo-N-[2-(phenylcarbamoyl)-1-b enzofuran-3-yl]chromene-2-carboxamide
MW: 452.458 | Formula: C27H20N2O5
H donors: 2 H acceptors: 3 LogP: 5.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(=O)c2c(o1)cc(c(c2)C)C)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1
InChi: 1S/C27H20N2O5/c1-15-12-19-20(30)14-23(33-22(19)13-16(15)2)26(31)29-24-18-10-6-7-11-21(18)34-25(24)27(32)28-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,28,32)(H,29,31)
InChiKey: KBGHRRKOJGJPCX-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

6,7-dimethyl-4-oxo-N-[2-(phenylcarbamoyl)benzofuran-3-yl]chromene-2-carboxamide
6,7-dimethyl-4-oxo-N-[2-[oxo-(phenylamino)methyl]-3-benzofuranyl]-2-chromenecarboxamide
4-keto-6,7-dimethyl-N-[2-(phenylcarbamoyl)benzofuran-3-yl]chromene-2-carboxamide
D103-2001
NCGC00115756-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873

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	cysteine protease	0.017	0.4274	0.3913
Trypanosoma cruzi	cysteine peptidase, putative	0.0096	0.0592	0.1135
Echinococcus granulosus	cathepsin l1	0.017	0.4274	0.3913
Onchocerca volvulus	Cathepsin L homolog	0.017	0.4274	1
Entamoeba histolytica	cysteine proteinase, putative	0.017	0.4274	1
Brugia malayi	Cathepsin L-like precursor	0.0112	0.1345	0.08
Plasmodium vivax	vivapain-2	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0189	0.5217	1
Trypanosoma cruzi	cysteine peptidase, putative	0.017	0.4274	0.8191
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.017	0.4274	0.8191
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.017	0.4274	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0096	0.0592	0.1135
Entamoeba histolytica	cysteine proteinase, putative	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Echinococcus granulosus	cathepsin l1	0.0112	0.1345	0.08
Brugia malayi	Cathepsin L-like precursor	0.017	0.4274	0.3913
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.0592	0.1386
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.017	0.4274	1
Onchocerca volvulus		0.017	0.4274	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.017	0.4274	0.4274
Trypanosoma cruzi	cysteine protease, putative	0.0096	0.0592	0.1135
Echinococcus multilocularis	cathepsin L cysteine protease	0.017	0.4274	0.3913
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.017	0.4274	0.3913
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Schistosoma mansoni	cathepsin F (C01 family)	0.017	0.4274	0.8191
Loa Loa (eye worm)	ctsf protein	0.017	0.4274	0.4274
Trypanosoma cruzi	cysteine peptidase, putative	0.017	0.4274	0.8191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0096	0.0592	0.1386
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Onchocerca volvulus		0.017	0.4274	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0112	0.1345	0.2578
Trypanosoma cruzi	cysteine proteinase, putative	0.0096	0.0592	0.1135
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Entamoeba histolytica	cysteine protease, putative	0.017	0.4274	1
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0096	0.0592	0.1135
Onchocerca volvulus		0.017	0.4274	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0112	0.1345	0.2578
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0096	0.0592	0.1135
Trypanosoma cruzi	cysteine proteinase, putative	0.0096	0.0592	0.1135
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0189	0.5217	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Trypanosoma cruzi	cysteine peptidase, putative	0.017	0.4274	0.8191
Brugia malayi	Cathepsin L-like precursor	0.017	0.4274	0.3913
Schistosoma mansoni	cathepsin F (C01 family)	0.017	0.4274	0.8191
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1345	0.1345
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.017	0.4274	0.3913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0189	0.5217	1
Brugia malayi	Papain family cysteine protease containing protein	0.017	0.4274	0.3913
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0189	0.5217	1
Echinococcus multilocularis	cathepsin b	0.0189	0.5217	0.4916
Giardia lamblia	Cathepsin B precursor	0.0085	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.017	0.4274	0.3913
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.017	0.4274	0.4274
Giardia lamblia	Cathepsin B precursor	0.0085	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0189	0.5217	0.5217
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0112	0.1345	0.3148
Loa Loa (eye worm)	fibroinase	0.017	0.4274	0.4274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0189	0.5217	1
Trypanosoma cruzi	cysteine peptidase, putative	0.017	0.4274	0.8191
Plasmodium vivax	vivapain-2	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.017	0.4274	1
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Onchocerca volvulus	Cathepsin L homolog	0.017	0.4274	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Echinococcus multilocularis	cysteine protease	0.017	0.4274	0.3913
Brugia malayi	Cathepsin L-like precursor	0.017	0.4274	0.3913
Entamoeba histolytica	cysteine proteinase, putative	0.0112	0.1345	0.2045
Onchocerca volvulus		0.017	0.4274	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Onchocerca volvulus		0.017	0.4274	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1345	0.1345
Giardia lamblia	Cathepsin B precursor	0.0085	0	0.5
Echinococcus granulosus	cathepsin b	0.0189	0.5217	0.4916
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Brugia malayi	cathepsin L-like precursor	0.0112	0.1345	0.08
Brugia malayi	Cathepsin L-like precursor	0.017	0.4274	0.3913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.0592	0.1386
Brugia malayi	Cathepsin L-like precursor	0.017	0.4274	0.3913
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1345	0.1345
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Echinococcus granulosus	cathepsin b	0.0189	0.5217	0.4916
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Leishmania major	cysteine peptidase A (CPA)	0.017	0.4274	1
Onchocerca volvulus	Cathepsin F homolog	0.017	0.4274	1
Brugia malayi	Cathepsin L-like precursor	0.0112	0.1345	0.08
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.017	0.4274	1
Loa Loa (eye worm)	cysteine protease	0.017	0.4274	0.4274
Onchocerca volvulus		0.017	0.4274	1
Toxoplasma gondii	cathepsin CPL	0.017	0.4274	1
Leishmania major	cathepsin L-like protease	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.017	0.4274	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.017	0.4274	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0189	0.5217	0.4916
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.017	0.4274	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.017	0.4274	0.3913
Loa Loa (eye worm)	hypothetical protein	0.017	0.4274	0.4274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0096	0.0592	0.1386
Echinococcus multilocularis	cathepsin b	0.0189	0.5217	0.4916
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.017	0.4274	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.017	0.4274	0.3913
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0112	0.1345	0.08
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0096	0.0592	0.1135
Onchocerca volvulus		0.017	0.4274	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.017	0.4274	0.3913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0112	0.1345	0.3148

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1259 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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)	100 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

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

ChEMBL: CHEMBL1475100

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 1359520