TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 173.168 | Formula: C10H7NO2
H donors: 0 H acceptors: 1 LogP: 1.92 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1OC=NC1=Cc1ccccc1
InChi: 1S/C10H7NO2/c12-10-9(11-7-13-10)6-8-4-2-1-3-5-8/h1-7H
InChiKey: IZKYDJIWHDHZOH-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

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
Onchocerca volvulus		0.0292	0.644	1
Brugia malayi	hypothetical protein	0.0292	0.644	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0811	0.0859
Toxoplasma gondii	ABC1 family protein	0.007	0.1385	1
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.1385	0.0918
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.1385	0.0918
Loa Loa (eye worm)	hypothetical protein	0.007	0.1385	0.2151
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0577	0.0318
Echinococcus granulosus	vesicular acetylcholine transporter	0.0218	0.4764	1
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.1385	0.1371
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0287	0.633	1
Mycobacterium ulcerans	beta-lactamase	0.007	0.1385	0.3296
Mycobacterium ulcerans	lipase LipD	0.007	0.1385	0.3296
Onchocerca volvulus		0.007	0.1385	0.1577
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.2983	0.2602
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.2983	1
Loa Loa (eye worm)	inositol-1	0.0036	0.06	0.0931
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.1385	0.1371
Giardia lamblia	Fructose-bisphosphate aldolase	0.0287	0.633	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.1385	0.2151
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.1385	0.2908
Brugia malayi	MH2 domain containing protein	0.0115	0.2415	0.375
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0811	0.1702
Brugia malayi	jmjC domain containing protein	0.0035	0.0577	0.0896
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.1385	0.0918
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.1385	1
Mycobacterium tuberculosis	Conserved protein	0.007	0.1385	0.0918
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.06	0.0371
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0577	0.0896
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.1385	0.2187
Brugia malayi	beta-lactamase family protein	0.007	0.1385	0.2151
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0811	0.0859
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0218	0.4764	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.06	0.1259
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.2415	0.375
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.1134	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0292	0.644	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0906	0.1406
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.1385	0.0918
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.1385	0.2151
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.1385	0.0918
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.1385	0.0918
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0439	0.0922
Brugia malayi	beta-lactamase family protein	0.007	0.1385	0.2151
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0577	0.121
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0811	0.0859
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.1385	0.3296
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.1485	0.3117
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0811	0.1702
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.1385	0.3296
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0439	0.0682
Loa Loa (eye worm)	hypothetical protein	0.007	0.1385	0.2151
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.06	0.433
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.1924	0.3434
Loa Loa (eye worm)	hypothetical protein	0.007	0.1385	0.2151
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.1924	0.3434
Brugia malayi	jmjC domain containing protein	0.0094	0.1924	0.2988
Mycobacterium tuberculosis	Conserved protein	0.007	0.1385	0.0918
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.06	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.633	1
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.1385	1
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.1385	0.1371
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.06	0.433
Plasmodium vivax	hypothetical protein, conserved	0.007	0.1385	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0577	0.121
Trichomonas vaginalis	esterase, putative	0.007	0.1385	0.1371
Brugia malayi	beta-lactamase	0.007	0.1385	0.2151
Schistosoma mansoni	hypothetical protein	0.0029	0.0439	0.0922
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.1385	0.2151
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0439	0.3172
Loa Loa (eye worm)	hypothetical protein	0.007	0.1385	0.2151
Mycobacterium leprae	Probable lipase LipE	0.007	0.1385	0.3527
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.1385	0.1371
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0811	0.1259
Loa Loa (eye worm)	beta-lactamase	0.007	0.1385	0.2151
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0811	0.1259
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0811	0.0859
Onchocerca volvulus		0.007	0.1385	0.1577
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0287	0.633	1
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0439	1
Mycobacterium ulcerans	hypothetical protein	0.007	0.1385	0.3296
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.1385	0.2908
Onchocerca volvulus		0.007	0.1385	0.1577
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0577	0.0318
Treponema pallidum	fructose-bisphosphate aldolase	0.0287	0.633	0.5
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.06	0.0371
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.1385	0.2187
Schistosoma mansoni	vesicular acetylcholine transporter	0.0218	0.4764	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0439	0.3172
Brugia malayi	Inositol-1	0.0036	0.06	0.0931
Mycobacterium tuberculosis	Conserved protein	0.007	0.1385	0.0918
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.1385	0.1371
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.1385	1
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0695	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0439	0.0682
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0218	0.4764	0.7398
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.1385	0.0918
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.2983	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0811	0.1702
Loa Loa (eye worm)	hypothetical protein	0.007	0.1385	0.2151
Brugia malayi	PHD-finger family protein	0.0029	0.0439	0.0682
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0439	0.3172
Mycobacterium leprae	conserved hypothetical protein	0.007	0.1385	0.3527
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0218	0.4764	0.7208
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0218	0.4764	0.7398
Brugia malayi	Bromodomain containing protein	0.0029	0.0439	0.0682
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.2415	0.375
Schistosoma mansoni	inositol monophosphatase	0.0036	0.06	0.1259
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0695	0.0591
Leishmania major	hypothetical protein, conserved	0.007	0.1385	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1905064

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 1538168