TDR Targets

Basic information

Technical information

TDR Targets ID: 218327
Name: (4E)-4-[2-[4-[(carbamoylamino)methyl]anilino] -2-oxoethylidene]-5,7-dichloro-2,3-dihydro-1H -quinoline-2-carboxylic acid
MW: 449.287 | Formula: C20H18Cl2N4O4
H donors: 5 H acceptors: 4 LogP: 2.25 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)NCc1ccc(cc1)NC(=O)/C=C/1\CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O
InChi: 1S/C20H18Cl2N4O4/c21-12-7-14(22)18-11(5-16(19(28)29)26-15(18)8-12)6-17(27)25-13-3-1-10(2-4-13)9-24-20(23)30/h1-4,6-8,16,26H,5,9H2,(H,25,27)(H,28,29)(H3,23,24,30)/b11-6+
InChiKey: JCCJCTNJPWOBID-IZZDOVSWSA-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

(4E)-5,7-dichloro-4-[2-oxo-2-[4-(ureidomethyl)anilino]ethylidene]-2,3-dihydro-1H-quinoline-2-carboxylic acid
(4E)-4-[2-[[4-[(aminocarbonylamino)methyl]phenyl]amino]-2-oxo-ethylidene]-5,7-dichloro-2,3-dihydro-1H-quinoline-2-carboxylic acid
(4E)-5,7-dichloro-4-[2-keto-2-[4-(ureidomethyl)anilino]ethylidene]-2,3-dihydro-1H-quinoline-2-carboxylic acid
(4E)-4-[2-[[4-[(carbamoylamino)methyl]phenyl]amino]-2-oxoethylidene]-5,7-dichloro-2,3-dihydro-1H-quinoline-2-carboxylic acid
(4E)-5,7-dichloro-4-[2-oxo-2-[[4-(ureidomethyl)phenyl]amino]ethylidene]-2,3-dihydro-1H-quinoline-2-carboxylic acid
(4E)-5,7-dichloro-4-[2-keto-2-[[4-(ureidomethyl)phenyl]amino]ethylidene]-2,3-dihydro-1H-quinoline-2-carboxylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate NMDA receptor	Starlite/ChEMBL	References

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
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0765	0.0465
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0023	0.0715	0.8884
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0023	0.0761	1
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0318	0.0003
Entamoeba histolytica	CAAX prenyl protease family	0.0109	1	1
Trypanosoma brucei	unspecified product	0.0023	0.0765	0.0765
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.0318	0.0318
Echinococcus granulosus	dna polymerase eta	0.0023	0.0765	0.0465
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0765	0.0461
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0765	0.0054
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0765	0.0465
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0109	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0765	0.0765
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0318	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0765	0.0465
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0765	0.0765
Echinococcus granulosus	CAAX prenyl protease 2	0.0109	1	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.4666	0.4492
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.4666	0.4492
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0765	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0765	0.0765
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0109	1	1
Loa Loa (eye worm)	hypothetical protein	0.0109	1	1
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0023	0.0761	0.9915
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0109	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0765	0.0461
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0023	0.0761	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0318	0.0318
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0765	0.0461
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2652	0.2413
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0023	0.0715	0.8884
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0109	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Plasmodium vivax	protease, putative	0.0023	0.0715	1
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0109	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0318	0.0003
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.2652	0.2413
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0765	0.0465
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0318	0.0003
Echinococcus granulosus	nmda type glutamate receptor	0.0032	0.1721	0.1452
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0765	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0318	0.0003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0023	0.0761	0.9239
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0109	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0765	1
Toxoplasma gondii	hypothetical protein	0.0023	0.0715	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0318	0.0003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0765	0.0461
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0765	0.0465
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0032	0.1721	0.1452
Echinococcus multilocularis	nmda type glutamate receptor	0.0032	0.1721	0.1452
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0023	0.0715	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0765	0.0465
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0765	0.0765
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0765	0.0465
Echinococcus multilocularis	CAAX prenyl protease 2	0.0109	1	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0765	1
Schistosoma mansoni	hypothetical protein	0.0041	0.2652	0.2413
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.4666	0.4492
Toxoplasma gondii	hypothetical protein	0.0023	0.0715	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0765	0.0461
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0715	0.8884
Plasmodium falciparum	protease, putative	0.0023	0.0715	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0765	0.0465
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0318	0.0003
Giardia lamblia	Hypothetical protein	0.0109	1	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0318	0.0003
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0318	0.0003
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0109	1	1
Chlamydia trachomatis	glutamine binding protein	0.0023	0.0761	1
Mycobacterium tuberculosis	Probable integral membrane protein	0.0023	0.0715	0.8884
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0765	0.0465
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0765	0.0461
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0023	0.0761	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.4666	0.4492
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0765	0.0465
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0765	0.0461
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0765	0.0465
Leishmania major	DNA polymerase eta, putative	0.0023	0.0765	0.0461
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0765	0.0765
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0765	0.0465
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0318	0.0003

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -8.38	In vitro ability to inhibit the binding of [3H]-glycine to glycine binding site of N-methyl-D-aspartate glutamate receptor in rat synaptic membranes	ChEMBL.	14552796
Log Ki (binding)	= 8.38	In vitro ability to inhibit the binding of [3H]-glycine to glycine binding site of N-methyl-D-aspartate glutamate receptor in rat synaptic membranes	ChEMBL.	14552796

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

PubChem: 21831113

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 218327