TDR Targets

Basic information

Technical information

TDR Targets ID: 1443921
Name: 3-furan-2-yl-2-(naphthalene-1-carbonylamino)p rop-2-enoic acid
MW: 307.3 | Formula: C18H13NO4
H donors: 2 H acceptors: 3 LogP: 3.27 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)/C(=C\c1ccco1)/NC(=O)c1cccc2c1cccc2
InChi: 1S/C18H13NO4/c20-17(15-9-3-6-12-5-1-2-8-14(12)15)19-16(18(21)22)11-13-7-4-10-23-13/h1-11H,(H,19,20)(H,21,22)/b16-11+
InChiKey: PLGYDNAYLBRGQF-LFIBNONCSA-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

(E)-3-furan-2-yl-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
(E)-3-(2-furyl)-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
3-(2-furyl)-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
(E)-3-(2-furyl)-2-[(1-naphthyl-oxomethyl)amino]prop-2-enoic acid
3-(2-furyl)-2-[(1-naphthyl-oxomethyl)amino]prop-2-enoic acid
3-(2-furyl)-2-(naphthalene-1-carbonylamino)acrylic acid
(E)-3-(2-furyl)-2-(naphthalene-1-carbonylamino)acrylic acid
3-furan-2-yl-2-(naphthalen-1-ylcarbonylamino)prop-2-enoic acid
(E)-3-furan-2-yl-2-(naphthalen-1-ylcarbonylamino)prop-2-enoic acid
3-(2-furyl)-2-(1-naphthoylamino)acrylic acid
MLS000577109
SMR000198188

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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 multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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)	GTP-binding regulatory protein Gs alpha-S chain	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0007	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	1	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.3348	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.3348	0.258
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.1036	0.1036
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.1036	0.1036
Schistosoma mansoni	coup transcription factor	0.0012	0.1036	0.1036
Brugia malayi	nuclear receptor NHR-88	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.1036	0.1036
Echinococcus granulosus	dna polymerase kappa	0.0023	0.3348	0.258
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.3348	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Onchocerca volvulus		0.0012	0.1036	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.1036	0.1036
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.3348	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.3348	0.5
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0	0.5
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.1036	0.1036
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.1036	0.1036
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Giardia lamblia	DINP protein human, muc B family	0.0023	0.3348	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.1036	0.1036
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.1036	0.1036
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1036	0.1036
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.1036	0.1036
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.3348	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.1841	0.55
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Trypanosoma brucei	unspecified product	0.0016	0.1841	0.55
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.1036	0.1036
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.3348	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0007	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0023	0.3348	0.3348
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1036	0.1036
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.3348	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.1036	0.1036
Trypanosoma brucei	unspecified product	0.0016	0.1841	0.55
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.3348	1
Echinococcus granulosus	dna polymerase eta	0.0023	0.3348	0.258
Trypanosoma brucei	unspecified product	0.0023	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.1841	0.55
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.1036	0.1036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	1	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.3348	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.1036	0.1036
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.3348	0.258
Schistosoma mansoni	DNA polymerase eta	0.0023	0.3348	0.3348
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.3348	0.3348
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1036	0.1036
Leishmania major	DNA polymerase kappa, putative	0.0023	0.3348	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1036	0.1036
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.1036	0.1036
Brugia malayi	nuclear hormone receptor	0.0012	0.1036	0.1036
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.3348	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.3348	0.258
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Echinococcus multilocularis	dna polymerase eta	0.0023	0.3348	0.258
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.1036	0.1036
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.1036	0.5
Brugia malayi	steroid hormone receptor	0.0012	0.1036	0.1036
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.3348	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.3348	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.3348	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.3348	0.3348
Leishmania major	DNA polymerase eta, putative	0.0023	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.3348	0.3348
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.1036	0.1036
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.3348	0.3348
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.3348	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.1036	0.5
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.3348	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.1841	0.55
Brugia malayi	ecdysteroid receptor	0.0012	0.1036	0.1036
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.1036	0.1036
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.3348	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.1036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.3348	0.3348
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.3348	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7305 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)	10.4179 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)	11.2202 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)	= 14.1254 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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)	33.8078 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	= 44.5625 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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

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: CHEMBL1594918

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 1443921