TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.296 | Formula: C17H13FN2O2
H donors: 2 H acceptors: 3 LogP: 3.26 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)c(O)c(cn2)C(=O)NCc1ccccc1
InChi: 1S/C17H13FN2O2/c18-12-6-7-15-13(8-12)16(21)14(10-19-15)17(22)20-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,21)(H,20,22)
InChiKey: NNIZKZMXGCKNPE-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

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
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)	GTP-binding regulatory protein Gs alpha-S chain	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
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

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 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Onchocerca volvulus		0.0012	0.1036	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.1036	0.1036
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.3348	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.1036	0.1036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.1036	0.1036
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	BRCA1 C Terminus (BRCT) domain-containing protein	0.0007	0	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	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
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	nuclear receptor NHR-88	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	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
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
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.1036	0.1036
Echinococcus granulosus	dna polymerase kappa	0.0023	0.3348	0.258
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.3348	1
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
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.1036	0.1036
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1036	0.1036
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	1	1
Trypanosoma brucei	unspecified product	0.0016	0.1841	0.55
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
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
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.3348	1
Schistosoma mansoni	nuclear hormone receptor	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
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.1036	0.1036
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.1036	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.1036	0.1036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.1036	0.1036
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)	ImpB/MucB/SamB family protein	0.0023	0.3348	0.3348
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1036	0.1036
Leishmania major	DNA polymerase kappa, putative	0.0023	0.3348	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1036	0.1036
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.1036	0.1036
Plasmodium falciparum	DNA repair protein REV1, putative	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1036	0.1036
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.3348	1
Brugia malayi	nuclear hormone receptor	0.0012	0.1036	0.1036
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
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
Trypanosoma brucei	unspecified product	0.0016	0.1841	0.55
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
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.1036	0.1036
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	1	1
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
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.1841	0.55
Trypanosoma brucei	unspecified product	0.0023	0.3348	1
Echinococcus granulosus	dna polymerase eta	0.0023	0.3348	0.258
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)	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
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
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
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
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.1036	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.1036	0.1036
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	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
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.3348	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.3348	0.3348
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.1036	0.1036
Brugia malayi	steroid hormone receptor	0.0012	0.1036	0.1036
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.1036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1036	0.1036
Echinococcus multilocularis	dna polymerase eta	0.0023	0.3348	0.258
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.3348	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.3348	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.1036	0.1036
Leishmania major	DNA polymerase eta, putative	0.0023	0.3348	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.3348	0.3348
Trypanosoma brucei	DNA polymerase IV, 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
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.3348	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.3348	1
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

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 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)	9.285 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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)	18.526 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)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1500848

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 1375195