TDR Targets

Basic information

Technical information

TDR Targets ID: 584068
Name: (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidi n-6-yl)methylamino]benzoyl]amino]pentanedioic acid
MW: 439.425 | Formula: C20H21N7O5
H donors: 6 H acceptors: 8 LogP: 0.35 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(c1)c(N)nc(n2)N
InChi: 1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)/t14-/m0/s1
InChiKey: QLPRLGAHKHCVEW-AWEZNQCLSA-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

(2S)-2-[[[4-[(2,4-diamino-6-pyrido[2,3-d]pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
(2S)-2-[[4-[[2,4-bis(azanyl)pyrido[2,3-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]glutaric acid
5-deazaaminopterin
(2S)-2-[[4-[(2,4-diaminopyrido[5,6-e]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
(2S)-2-[[[4-[(2,4-diamino-6-pyrido[5,6-e]pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
(2S)-2-[[4-[(2,4-diaminopyrido[5,6-e]pyrimidin-6-yl)methylamino]benzoyl]amino]glutaric acid
(2S)-2-[[4-[(2,4-diaminopyrido[5,6-e]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
L-Glutamic acid, N-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-
NSC 110183

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		0.002	0.0035	0.0108
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.033	0.033
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.033	0.033
Loa Loa (eye worm)	solute carrier family 6 member 4	0.024	0.321	0.3377
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.033	0.0347
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.033	0.033
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.3048	0.3207
Echinococcus multilocularis	RUN	0.002	0.0035	0.0035
Brugia malayi	Doublecortin family protein	0.002	0.0035	0.0036
Entamoeba histolytica	hypothetical protein	0.0037	0.0276	0.5
Brugia malayi	hypothetical protein	0.0062	0.0634	0.0667
Schistosoma mansoni	loxhd1	0.002	0.0035	0.0035
Echinococcus multilocularis	tumor protein p63	0.0334	0.4566	0.4566
Mycobacterium ulcerans	thymidylate synthase	0.013	0.1617	0.1097
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0035	0.0035
Schistosoma mansoni	polycystin 1-related	0.002	0.0035	0.0035
Schistosoma mansoni	microtubule-associated protein tau	0.071	1	1
Echinococcus granulosus	tumor protein p63	0.0334	0.4566	0.4566
Entamoeba histolytica	hypothetical protein	0.0037	0.0276	0.5
Schistosoma mansoni	lipoxygenase	0.002	0.0035	0.0035
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.1617	0.1617
Onchocerca volvulus		0.002	0.0035	0.0108
Loa Loa (eye worm)	serotonin transporter b	0.024	0.321	0.3377
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0041	0.033	0.0347
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0035	0.0035
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0041	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.024	0.321	0.3377
Onchocerca volvulus		0.0041	0.033	0.1029
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0276	0.0276
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0676	0.9505	1
Echinococcus multilocularis	serotonin transporter	0.024	0.321	0.321
Echinococcus granulosus	serotonin transporter	0.024	0.321	0.321
Schistosoma mansoni	sodium/chloride dependent transporter	0.024	0.321	0.321
Plasmodium vivax	amine transporter, putative	0.0041	0.033	0.0511
Brugia malayi	dihydrofolate reductase family protein	0.0676	0.9505	1
Onchocerca volvulus		0.0041	0.033	0.1029
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0057	0.0562	0.0562
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0644	0.0644
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0421	0.5822	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0421	0.5822	1
Echinococcus multilocularis	thymidylate synthase	0.013	0.1617	0.1617
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.033	0.0347
Schistosoma mansoni	rab6-interacting	0.002	0.0035	0.0035
Echinococcus multilocularis	dihydrofolate reductase	0.0676	0.9505	0.9505
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Onchocerca volvulus		0.0049	0.0448	0.1395
Plasmodium falciparum	amino acid transporter, putative	0.0041	0.033	0.0511
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0276	0.0276
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.033	0.033
Onchocerca volvulus		0.013	0.1617	0.5037
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0035	0.0035
Onchocerca volvulus		0.024	0.321	1
Chlamydia trachomatis	dihydrofolate reductase	0.0676	0.9505	1
Loa Loa (eye worm)	thymidylate synthase	0.013	0.1617	0.1701
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0676	0.9505	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0421	0.5822	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.024	0.321	0.3377
Loa Loa (eye worm)	hypothetical protein	0.002	0.0035	0.0036
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0035	0.0035
Schistosoma mansoni	rab6-interacting	0.002	0.0035	0.0035
Echinococcus granulosus	RUN	0.002	0.0035	0.0035
Onchocerca volvulus		0.0041	0.033	0.1029
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.033	0.033
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0041	0.033	0.033
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0041	0.033	0.033
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0634	0.5
Loa Loa (eye worm)	dihydrofolate reductase	0.0676	0.9505	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.033	0.033
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.024	0.321	0.3377
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0035	0.0036
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.033	0.033
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0041	0.033	0.033
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.1617	0.1108
Plasmodium falciparum	transporter, putative	0.0041	0.033	0.0511
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.033	0.033
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.033	0.033
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.033	0.0347
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0644	0.0644
Brugia malayi	Dihydrofolate reductase	0.0676	0.9505	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0644	0.0644
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0676	0.9505	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.033	0.0347
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0041	0.033	0.033
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.3048	0.3207
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0035	0.0035
Brugia malayi	thymidylate synthase	0.013	0.1617	0.1701
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.033	0.033
Schistosoma mansoni	lipoxygenase	0.0057	0.0562	0.0562
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0448	0.0448
Entamoeba histolytica	hypothetical protein	0.0037	0.0276	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.033	0.033
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0276	0.0276
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.002	0.0035	0.0036
Brugia malayi	hypothetical protein	0.0037	0.0276	0.0291
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0041	0.033	0.033
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.033	0.0511
Brugia malayi	hypothetical protein	0.002	0.0035	0.0036
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.033	0.033
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0421	0.5822	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0644	0.0644
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.033	0.0347
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.033	0.033
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0421	0.5822	0.5
Schistosoma mansoni	dihydrofolate reductase	0.0676	0.9505	0.9505
Loa Loa (eye worm)	norepinephrine transporter	0.024	0.321	0.3377
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0448	0.0471
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0644	0.0012
Brugia malayi	hypothetical protein	0.0041	0.033	0.0347
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.033	0.033
Echinococcus multilocularis	microtubule associated protein 2	0.071	1	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0421	0.5822	1
Schistosoma mansoni	hypothetical protein	0.002	0.0035	0.0035
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.033	0.033
Treponema pallidum	sodium- and chloride- dependent transporter	0.024	0.321	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.0276	0.5
Echinococcus granulosus	dihydrofolate reductase	0.0676	0.9505	0.9505
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Echinococcus granulosus	thymidylate synthase	0.013	0.1617	0.1617
Loa Loa (eye worm)	hypothetical protein	0.0041	0.033	0.0347
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.024	0.321	0.321
Loa Loa (eye worm)	hypothetical protein	0.024	0.321	0.3377
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0644	0.0572
Brugia malayi	hypothetical protein	0.002	0.0035	0.0036
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0057	0.0562	0.0562

Activities

No activities found for this compound.

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

Search by CAS
PubChem: 97272

Bibliographic References

No literature references available for this target.

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Detailed information for compound 584068