TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.399 | Formula: C23H17N3O4
H donors: 0 H acceptors: 1 LogP: 3.85 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)Oc1ccc2c(c1)OCO2
InChi: 1S/C23H17N3O4/c1-15-25-20-5-3-2-4-19(20)23(27)26(15)24-13-16-6-8-17(9-7-16)30-18-10-11-21-22(12-18)29-14-28-21/h2-13H,14H2,1H3/b24-13+
InChiKey: DGGOIOKUZCDHLU-ZMOGYAJESA-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
Trypanosoma cruzi	WLM domain containing protein, putative	0.0035	0.1218	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0035	0.1218	1
Schistosoma mansoni	hypothetical protein	0.01	0.451	0.9122
Chlamydia trachomatis	DNA topoisomerase I	0.01	0.451	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.01	0.451	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0032	0.1048	0.2323
Trichomonas vaginalis	D-aminoacylase, putative	0.0032	0.1048	0.2323
Mycobacterium ulcerans	beta-lactamase	0.0032	0.1048	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1218	0.019
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1218	1
Mycobacterium tuberculosis	Conserved protein	0.0032	0.1048	0.1056
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.451	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0077	0.3349	0.3374
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0035	0.1218	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0032	0.1048	0.2323
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.01	0.451	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0035	0.1218	1
Mycobacterium tuberculosis	Probable hydrolase	0.0032	0.1048	0.1056
Echinococcus multilocularis	SWI:SNF matrix associated	0.01	0.451	1
Schistosoma mansoni	fusion	0.0035	0.1218	0.2463
Trypanosoma brucei	hypothetical protein, conserved	0.0032	0.1048	0.8603
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1218	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1218	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0077	0.3349	0.3374
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0032	0.1048	0.1056
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0087	0.3854	0.3135
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.01	0.451	0.3868
Toxoplasma gondii	thioredoxin reductase	0.0034	0.1131	0.2508
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0032	0.1048	1
Brugia malayi	Thioredoxin reductase	0.0034	0.1131	0.1131
Onchocerca volvulus		0.0035	0.1218	0.0491
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0034	0.1154	0.256
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0035	0.1218	0.1218
Onchocerca volvulus		0.01	0.451	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0035	0.1218	0.27
Schistosoma mansoni	brg-1 associated factor	0.01	0.451	0.9122
Onchocerca volvulus		0.0035	0.1218	0.0491
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.1218	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0032	0.1048	0.2323
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0035	0.1218	0.27
Echinococcus granulosus	ring and YY1 binding protein	0.0035	0.1218	0.27
Mycobacterium tuberculosis	Conserved protein	0.0032	0.1048	0.1056
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0087	0.3854	0.8545
Mycobacterium ulcerans	lipase LipD	0.0032	0.1048	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0032	0.1048	0.2323
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0077	0.3349	0.3374
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0087	0.3854	0.8545
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1218	0.019
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0087	0.3854	0.7795
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0035	0.1218	1
Brugia malayi	beta-lactamase family protein	0.0032	0.1048	0.1048
Onchocerca volvulus		0.0035	0.1218	0.0491
Mycobacterium ulcerans	hypothetical protein	0.0032	0.1048	1
Plasmodium vivax	thioredoxin reductase, putative	0.0034	0.1131	0.2508
Leishmania major	hypothetical protein, conserved	0.0035	0.1218	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0034	0.1154	0.256
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0034	0.1131	0.114
Trypanosoma cruzi	trypanothione reductase, putative	0.0034	0.1131	0.9289
Schistosoma mansoni	hypothetical protein	0.01	0.451	0.9122
Leishmania major	hypothetical protein, conserved	0.0035	0.1218	1
Schistosoma mansoni	hypothetical protein	0.01	0.451	0.9122
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0035	0.1218	0.0491
Brugia malayi	brahma associated protein 60 kDa	0.01	0.451	0.451
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0032	0.1048	0.2119
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0077	0.3349	0.3374
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0032	0.1048	0.2119
Loa Loa (eye worm)	thioredoxin reductase	0.0034	0.1131	0.0093
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0086	0.379	0.3818
Echinococcus multilocularis	ring and YY1 binding protein	0.0035	0.1218	0.27
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0035	0.1218	0.1218
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.01	0.451	1
Brugia malayi	glutathione reductase	0.0034	0.1131	0.1131
Trichomonas vaginalis	penicillin-binding protein, putative	0.0032	0.1048	0.2323
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0087	0.3854	0.7795
Loa Loa (eye worm)	glutathione reductase	0.0034	0.1131	0.0093
Echinococcus granulosus	zinc finger protein Ran binding	0.0035	0.1218	0.27
Leishmania major	hypothetical protein, conserved	0.0032	0.1048	0.8603
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1218	0.019
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0032	0.1048	0.2323
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0087	0.3854	0.8545
Trypanosoma brucei	trypanothione reductase	0.0034	0.1131	0.9289
Schistosoma mansoni	TRABID protein (C64 family)	0.0035	0.1218	0.2463
Mycobacterium ulcerans	esterase/lipase LipP	0.0032	0.1048	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.01	0.451	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.01	0.451	1
Onchocerca volvulus		0.0035	0.1218	0.0491
Echinococcus granulosus	Zinc finger RanBP2 type	0.0035	0.1218	0.27
Trypanosoma cruzi	WLM domain containing protein, putative	0.0035	0.1218	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1218	0.019
Schistosoma mansoni	RNA binding protein	0.0035	0.1218	0.2463
Echinococcus multilocularis	zinc finger protein Ran binding	0.0035	0.1218	0.27
Chlamydia trachomatis	SWIB complex protein	0.01	0.451	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0035	0.1218	0.27
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0035	0.1218	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1218	0.019
Mycobacterium tuberculosis	Probable oxidoreductase	0.0086	0.379	0.3818
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.01	0.451	1
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0035	0.1218	0.27
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0077	0.3349	0.8393
Schistosoma mansoni	zinc finger protein	0.0035	0.1218	0.2463
Brugia malayi	brahma associated protein 60 kDa	0.01	0.451	0.451
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.01	0.451	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0032	0.1048	0.1048
Mycobacterium tuberculosis	Conserved protein	0.0032	0.1048	0.1056
Echinococcus multilocularis	SWI:SNF matrix associated	0.01	0.451	1
Loa Loa (eye worm)	brahma associated protein	0.01	0.451	0.3868
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0035	0.1218	0.27
Trichomonas vaginalis	esterase, putative	0.0032	0.1048	0.2323
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0035	0.1218	1
Toxoplasma gondii	ABC1 family protein	0.0032	0.1048	0.2323
Leishmania major	trypanothione reductase	0.0034	0.1131	0.9289
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.1048	0.2323
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0086	0.379	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1218	0.2463
Leishmania major	hypothetical protein, conserved	0.0035	0.1218	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0035	0.1218	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0086	0.379	0.3818
Mycobacterium tuberculosis	Probable dehydrogenase	0.0077	0.3349	0.3374
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0087	0.3854	0.3854
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0035	0.1218	0.1218
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0087	0.3854	0.7795
Echinococcus granulosus	SWI:SNF matrix associated	0.01	0.451	1
Brugia malayi	YY1-associated factor 2	0.0035	0.1218	0.1218
Mycobacterium tuberculosis	Probable reductase	0.0077	0.3349	0.3374
Brugia malayi	SWIB/MDM2 domain containing protein	0.01	0.451	0.451
Plasmodium falciparum	thioredoxin reductase	0.0034	0.1131	0.2508
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.1218	1
Plasmodium falciparum	glutathione reductase	0.0034	0.1131	0.2508
Plasmodium vivax	hypothetical protein, conserved	0.01	0.451	1
Brugia malayi	beta-lactamase	0.0032	0.1048	0.1048
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.1048	0.8603
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.1048	0.8603
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0032	0.1048	0.1056
Mycobacterium tuberculosis	Probable lipase LipD	0.0032	0.1048	0.1056
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.01	0.451	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0205	0.9927	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0032	0.1048	0.1056
Brugia malayi	beta-lactamase family protein	0.0032	0.1048	0.1048
Leishmania major	hypothetical protein, conserved	0.0035	0.1218	1
Leishmania major	hypothetical protein, conserved	0.0035	0.1218	1
Toxoplasma gondii	ran binding protein	0.0035	0.1218	0.27
Plasmodium vivax	glutathione reductase, putative	0.0034	0.1131	0.2508
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0035	0.1218	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0087	0.3854	0.8545
Mycobacterium tuberculosis	Probable lipase LipE	0.0032	0.1048	0.1056
Mycobacterium tuberculosis	Probable esterase LipL	0.0032	0.1048	0.1056

Activities

Activity type	Assay description	Source	Reference
Activity (functional)	Anticonvulsant activity in CF1 mouse assessed as protection against 32 mA-current- for 3 secs induced seizure at 100 mg/kg, ip after 1 hr by 6Hz psychomotor seizure test	ChEMBL.	21306800
Activity (functional)	Anticonvulsant activity in CF1 mouse assessed as protection against 32 mA-current- for 3 secs induced seizure at 100 mg/kg, ip after 0.25 hr by 6Hz psychomotor seizure test	ChEMBL.	21306800
Activity (ADMET)	Neurotoxicity in CF1 mouse assessed as minimal motor impairment at 100 mg/kg, ip after 1 min by rotarod test	ChEMBL.	21306800
Activity (functional)	Anticonvulsant activity in CF1 mouse assessed as protection against 32 mA-current- for 3 secs induced seizure at 100 mg/kg, ip after 4 hrs by 6Hz psychomotor seizure test	ChEMBL.	21306800
Activity (functional)	Anticonvulsant activity in CF1 mouse assessed as protection against 32 mA-current- for 3 secs induced seizure at 100 mg/kg, ip after 2 hrs by 6Hz psychomotor seizure test	ChEMBL.	21306800

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: CHEMBL1761394

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 1511501