TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.317 | Formula: C18H15NO3
H donors: 1 H acceptors: 3 LogP: 2.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCC/N=C\1/C(=O)c2ccccc2c2c1cccc2
InChi: 1S/C18H15NO3/c20-16(21)10-5-11-19-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)18(17)22/h1-4,6-9H,5,10-11H2,(H,20,21)/b19-17+
InChiKey: DXHQUFUMMRNIOE-HTXNQAPBSA-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
Rattus norvegicus	Gamma-amino-N-butyrate transaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	Get druggable targets OG5_129508	All targets in OG5_129508
Candida albicans	one of two potential aminotransferase genes	Get druggable targets OG5_129508	All targets in OG5_129508
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	Get druggable targets OG5_129508	All targets in OG5_129508
Mycobacterium ulcerans	L-lysine aminotransferase	Get druggable targets OG5_129508	All targets in OG5_129508
Candida albicans	one of two potential aminotransferase genes	Get druggable targets OG5_129508	All targets in OG5_129508
Candida albicans	one of two potential aminotransferase genes similar to S. cerevisiae UGA1 (YGR019W) gamma-aminobutyrate (GABA) transaminase	Get druggable targets OG5_129508	All targets in OG5_129508

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
Entamoeba histolytica	hypothetical protein	0.0038	0.0357	0.164
Schistosoma mansoni	heat shock protein	0.0032	0.0187	0.0421
Entamoeba histolytica	hypothetical protein	0.0038	0.0357	0.164
Echinococcus multilocularis	endoplasmin	0.0045	0.0572	0.1287
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0655	0.0848
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0655	0.1476
Trichomonas vaginalis	heat shock protein, putative	0.0045	0.0572	0.1984
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0032	0.0187	0.0421
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0655	0.1476
Loa Loa (eye worm)	endoplasmin	0.0048	0.0658	0.2261
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0041	0.0455	0.2094
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1194	0.2689
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0293	0.7726	1
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Plasmodium vivax	heat shock protein, putative	0.0184	0.4569	0.4569
Toxoplasma gondii	heat shock protein HSP90	0.0048	0.0658	0.0697
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0781	0.1011
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0011	0.0024
Trypanosoma cruzi	Heat shock protein 83, putative	0.0048	0.0658	0.3026
Loa Loa (eye worm)	heat shock protein 75	0.0032	0.0187	0.0643
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2173	0.7545
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0371	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.0048	0.0658	0.3026
Schistosoma mansoni	hypothetical protein	0.0038	0.0357	0.0803
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0101	0.2173	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0101	0.2173	1
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.1194	0.1545
Schistosoma mansoni	endoplasmin	0.0048	0.0658	0.1481
Trichomonas vaginalis	CAMK family protein kinase	0.0125	0.2881	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0357	0.0803
Trichomonas vaginalis	heat shock protein, putative	0.0048	0.0658	0.2283
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1194	0.2689
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Trypanosoma brucei	heat shock protein 90, putative	0.0048	0.0658	0.3026
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2173	0.7545
Brugia malayi	Endoplasmin precursor	0.0048	0.0658	0.0851
Entamoeba histolytica	heat shock protein 90, putative	0.0048	0.0658	0.3026
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1194	0.2689
Entamoeba histolytica	hypothetical protein	0.0038	0.0357	0.164
Loa Loa (eye worm)	heat shock protein 90	0.0048	0.0658	0.2261
Trypanosoma cruzi	heat shock protein 90, putative	0.0041	0.0455	0.2094
Trichomonas vaginalis	heat shock protein, putative	0.0041	0.0455	0.158
Mycobacterium ulcerans	heat shock protein 90	0.0045	0.0572	0.0727
Plasmodium vivax	heat shock protein 86, putative	0.0048	0.0658	0.0658
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.0714	0.2479
Schistosoma mansoni	hypothetical protein	0.0179	0.444	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0101	0.2173	1
Brugia malayi	heat shock protein 90	0.0048	0.0658	0.0851
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0655	0.1476
Plasmodium vivax	heat shock protein 90, putative	0.0032	0.0187	0.0187
Echinococcus granulosus	endoplasmin	0.0045	0.0572	0.1287
Plasmodium falciparum	heat shock protein 90, putative	0.0184	0.4569	0.4563
Trypanosoma cruzi	polo-like protein kinase, putative	0.0101	0.2173	1
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Echinococcus multilocularis	geminin	0.0179	0.444	1
Schistosoma mansoni	heat shock protein	0.0048	0.0658	0.1481
Loa Loa (eye worm)	RNA binding protein	0.0067	0.1194	0.4105
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Brugia malayi	Hsp90 protein	0.0032	0.0187	0.0242
Schistosoma mansoni	endoplasmin	0.0048	0.0658	0.1481
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Echinococcus multilocularis	heat shock protein 90	0.0041	0.0455	0.1025
Trypanosoma cruzi	heat shock protein 90, putative	0.0048	0.0658	0.3026
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0032	0.0187	0.0861
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0011	0.0024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0655	0.1476
Plasmodium falciparum	heat shock protein 90	0.0048	0.0658	0.0648
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0655	0.1476
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Echinococcus granulosus	geminin	0.0179	0.444	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0045	0.0572	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0045	0.0572	0.263
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0781	0.2685
Echinococcus granulosus	heat shock protein 90	0.0041	0.0455	0.1025
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2173	0.7545
Giardia lamblia	Kinase, PLK	0.0101	0.2173	1
Giardia lamblia	Grp94/Hsp90	0.0045	0.0572	0.263
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0655	0.1476
Toxoplasma gondii	heat shock protein 75, putative	0.0032	0.0187	0.019
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0781	0.1011
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1194	0.2689
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0041	0.0455	0.1025
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.2908	1
Echinococcus multilocularis	heat shock protein 90	0.0048	0.0658	0.1481
Trypanosoma cruzi	heat shock protein 85, putative	0.0048	0.0658	0.3026
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2173	0.7545
Plasmodium vivax	ornithine aminotransferase, putative	0.0026	0.0011	0.0011
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0048	0.0658	0.3026
Trichomonas vaginalis	heat shock protein, putative	0.0035	0.0273	0.0949
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0026	0.0011	0.5
Brugia malayi	serine/threonine-protein kinase plk-2	0.0101	0.2173	0.2813
Echinococcus granulosus	heat shock protein 90	0.0048	0.0658	0.1481
Echinococcus granulosus	Aminotransferase class III	0.0026	0.0011	0.0024
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Toxoplasma gondii	heat shock protein 90, putative	0.0048	0.0658	0.0697
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Echinococcus multilocularis	Aminotransferase class III	0.0026	0.0011	0.0024
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0101	0.2173	1
Trichomonas vaginalis	heat shock protein, putative	0.0028	0.0071	0.0246
Toxoplasma gondii	Hsp90 domain-containing protein	0.0184	0.4569	0.4911
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.0714	0.2479
Schistosoma mansoni	heat shock protein	0.0048	0.0658	0.1481
Trypanosoma cruzi	heat shock protein 85, putative	0.0041	0.0455	0.2094
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0293	0.7726	1
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Brugia malayi	hypothetical protein	0.0038	0.0357	0.0461
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0045	0.0572	0.0727
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0026	0.0011	0.0037
Brugia malayi	MH2 domain containing protein	0.0126	0.2908	0.3764
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0298	0.0386
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.1194	0.4105
Leishmania major	heat shock protein, putative	0.0032	0.0187	0.0861
Brugia malayi	TAR-binding protein	0.0067	0.1194	0.1545
Brugia malayi	RNA binding protein	0.0067	0.1194	0.1545
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Entamoeba histolytica	heat shock protein 90, putative	0.0048	0.0658	0.3026
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0101	0.2173	0.7473
Trypanosoma cruzi	heat shock protein 85, putative	0.0048	0.0658	0.3026
Trichomonas vaginalis	heat shock protein, putative	0.0045	0.0572	0.1984
Plasmodium vivax	endoplasmin, putative	0.0048	0.0658	0.0658
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0781	0.2685
Echinococcus granulosus	heat shock protein	0.0048	0.0658	0.1481
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.2908	1
Echinococcus multilocularis	heat shock protein	0.0048	0.0658	0.1481
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0655	0.2253
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Trypanosoma cruzi	heat shock protein, putative	0.0032	0.0187	0.0861
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.1194	0.4105
Entamoeba histolytica	hypothetical protein	0.0038	0.0357	0.164
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0357	0.0803
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Trypanosoma brucei	polo-like protein kinase	0.0101	0.2173	1
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.2173	0.4895
Trypanosoma cruzi	heat shock protein 85, putative	0.0048	0.0658	0.3026
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0298	0.1026
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0347	0.9293	1
Echinococcus granulosus	tar DNA binding protein	0.0067	0.1194	0.2689
Trypanosoma brucei	Heat shock protein 83, putative	0.0048	0.0658	0.3026
Echinococcus granulosus	ornithine aminotransferase	0.0026	0.0011	0.0024
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1194	0.2689
Plasmodium falciparum	heat shock protein 90, putative	0.0028	0.0071	0.006
Schistosoma mansoni	hypothetical protein	0.0036	0.0298	0.0672
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0045	0.0572	1
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.1194	0.2689
Mycobacterium ulcerans	L-lysine aminotransferase	0.0293	0.7726	1
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0026	0.0011	0.0024
Schistosoma mansoni	kinase	0.0052	0.0752	0.1694
Trichomonas vaginalis	endoplasmin, putative	0.0035	0.0273	0.0949
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2173	0.7545
Schistosoma mansoni	hypothetical protein	0.0179	0.444	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0101	0.2173	0.4895
Trypanosoma brucei	heat shock protein 84, putative	0.0032	0.0187	0.0861
Plasmodium falciparum	endoplasmin, putative	0.0035	0.0273	0.0263
Treponema pallidum	heat shock protein 90	0.0045	0.0572	0.5
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0032	0.0187	0.0421
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0357	0.0803
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0101	0.2173	0.4895
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2173	0.7545
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0655	0.1476
Trypanosoma brucei	heat shock protein, putative	0.0048	0.0658	0.3026
Leishmania major	heat shock protein 83-1	0.0048	0.0658	0.3026

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15.53 uM	Inhibition of Rattus norvegicus (rat) brain gamma-amino butyrate aminotransferase using gamma-amino butyrate as substrate assessed as decrease in NADPH generation after 30 min by spectrophotometric analysis	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: CHEMBL2283213

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 1807386