TDR Targets

Basic information

Technical information

TDR Targets ID: 1374126
Name: 5,7-dimethyl-4-oxo-N-(phenylmethyl)chromene-2 -carboxamide
MW: 307.343 | Formula: C19H17NO3
H donors: 1 H acceptors: 2 LogP: 3.25 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)c2c(c1)oc(cc2=O)C(=O)NCc1ccccc1
InChi: 1S/C19H17NO3/c1-12-8-13(2)18-15(21)10-17(23-16(18)9-12)19(22)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,22)
InChiKey: JSRCKJARIMOISY-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

5,7-dimethyl-4-oxo-N-(phenylmethyl)-2-chromenecarboxamide
N-(benzyl)-4-keto-5,7-dimethyl-chromene-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726

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
Onchocerca volvulus	Putative sulfate transporter	0.0203	0.1941	0.93
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0034	0.0175
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0034	0.0157
Schistosoma mansoni	carbonic anhydrase-related	0.0111	0.1023	0.5246
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0249	0.1258
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0007	0.0017
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0034	0.0157
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0034	0.0175
Schistosoma mansoni	dishevelled	0.0011	0.0034	0.0175
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0034	0.0157
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0008	0.0007	0.0003
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0007	0.0036
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0007	0.0017
Echinococcus granulosus	voltage gated potassium channel	0.0008	0.0007	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0034	0.0146
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.2086	1
Toxoplasma gondii	hypothetical protein	0.0111	0.1023	1
Schistosoma mansoni	ras GTP exchange factor	0.0008	0.0004	0.0019
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0008	0.0007	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0034	0.0146
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0008	0.0007	0.0017
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0111	0.1023	0.4895
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0008	0.0007	0.0016
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0204	0.1951	1
Brugia malayi	N-terminal motif family protein	0.0218	0.2086	1
Mycobacterium ulcerans	carbonic anhydrase	0.0049	0.0414	0.0169
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0008	0.0007	0.0017
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0111	0.1023	0.4895
Plasmodium falciparum	carbonic anhydrase	0.0111	0.1023	1
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0034	0.0146
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0007	0.0017
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0034	0.0157
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0034	0.0146
Echinococcus multilocularis	carbonic anhydrase	0.0111	0.1023	0.5237
Chlamydia trachomatis	sulfate transporter	0.0032	0.0249	0.5
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0204	0.1951	0.9348
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0007	0.0036
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0034	0.0157
Schistosoma mansoni	dep domain containing protein	0.0011	0.0034	0.0175
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0034	0.0146
Brugia malayi	DIX domain containing protein	0.0011	0.0034	0.0146
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0111	0.1023	0.4895
Trichomonas vaginalis	conserved hypothetical protein	0.1017	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0008	0.0007	0.0017
Schistosoma mansoni	carbonic anhydrase-related	0.0111	0.1023	0.5246
Schistosoma mansoni	dishevelled	0.0011	0.0034	0.0175
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0034	0.0146
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.0007	0.0017
Onchocerca volvulus		0.0203	0.1941	0.93
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0007	0.0036
Plasmodium vivax	sulfate transporter, putative	0.0032	0.0249	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0034	0.0157
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0008	0.0007	0.0016
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0034	0.0157
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0004	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2086	1
Brugia malayi	hypothetical protein	0.0011	0.0034	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1023	0.4895
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0007	0.0016
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0004	0.0019
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0007	0.0036
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0968	0.9514	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0204	0.1951	0.9348
Schistosoma mansoni	carbonic anhydrase	0.0049	0.0414	0.2121
Brugia malayi	hypothetical protein	0.0011	0.0034	0.0146
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0111	0.1023	0.4895
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0111	0.1023	0.4895
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0008	0.0007	0.0017
Entamoeba histolytica	carbonic anhydrase, putative	0.0049	0.0414	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0204	0.1951	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0008	0.0007	0.0017
Echinococcus granulosus	carbonic anhydrase II	0.0204	0.1951	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0007	0.0016
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0008	0.0007	0.0003
Schistosoma mansoni	carbonic anhydrase	0.0111	0.1023	0.5246
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0007	0.0036
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0204	0.1951	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0007	0.0036
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0034	0.0157
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0008	0.0007	0.0017
Echinococcus multilocularis	carbonic anhydrase	0.0111	0.1023	0.5237
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0004	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.1017	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0007	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1023	0.4895
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0204	0.1951	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0034	0.0146
Schistosoma mansoni	hypothetical protein	0.0111	0.1023	0.5246
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.0007	0.0017
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0007	0.0036
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0007	0.0036
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0249	0.1258
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.0007	0.0016
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0008	0.0004	0.0019
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0034	0.0146
Schistosoma mansoni	carbonic anhydrase-related	0.0111	0.1023	0.5246
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0204	0.1951	0.9348
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1023	0.4895
Echinococcus multilocularis	voltage gated potassium channel	0.0008	0.0007	0.0017
Onchocerca volvulus		0.0011	0.0034	0.0146
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0008	0.0007	0.0017
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0008	0.0007	0.0016
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0034	0.0146
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0032	0.0249	0.2167
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0007	0.0036
Echinococcus multilocularis	carbonic anhydrase II	0.0204	0.1951	1
Echinococcus granulosus	carbonic anhydrase	0.0111	0.1023	0.5237
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.0007	0.0017
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0034	0.0175
Mycobacterium leprae	Probable transmembrane transport protein	0.0235	0.2253	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0007	0.0036
Loa Loa (eye worm)	carbonic anhydrase 3	0.0204	0.1951	0.9348
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0034	0.0157
Echinococcus granulosus	carbonic anhydrase	0.0111	0.1023	0.5237
Trypanosoma brucei	carbonic anhydrase-like protein	0.0204	0.1951	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0008	0.0007	0.0017
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0034	0.0157
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0284	0.2738	0.0669
Leishmania major	carbonic anhydrase-like protein	0.0204	0.1951	1
Echinococcus granulosus	carbonic anhydrase	0.0111	0.1023	0.5237
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0007	0.0016
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0111	0.1023	0.4895
Echinococcus multilocularis	carbonic anhydrase	0.0111	0.1023	0.5237

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory)	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
Potency (functional)	= 158.4893 um	PUBCHEM_BIOASSAY: Confirmation of Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) [Related pubchem assays: 1768, 2076, 1766 ]	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: CHEMBL1502653

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 1374126