TDR Targets

Basic information

Technical information

TDR Targets ID: 1802079
Name: 6,7-Diethylpteridine-2,4-diamine
MW: 218.258 | Formula: C10H14N6
H donors: 2 H acceptors: 4 LogP: 0.79 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nc2nc(N)nc(c2nc1CC)N
InChi: 1S/C10H14N6/c1-3-5-6(4-2)14-9-7(13-5)8(11)15-10(12)16-9/h3-4H2,1-2H3,(H4,11,12,14,15,16)
InChiKey: BUZKILZDXOORCH-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

(2-amino-6,7-diethyl-pteridin-4-yl)amine
AIDS-057042
AIDS057042

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Pneumocystis carinii	Dihydrofolate reductase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	218 aa	32.6 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	206 aa	213 aa	29.6 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	193 aa	29.5 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	206 aa	226 aa	29.2 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	206 aa	179 aa	27.4 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	217 aa	33.2 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	174 aa	32.8 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	167 aa	29.9 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	206 aa	179 aa	28.5 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	174 aa	32.8 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	217 aa	31.8 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	217 aa	33.2 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	188 aa	34.6 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	213 aa	31.5 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	206 aa	188 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	amylase, putative	0.0104	0.3097	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0355	0.0103
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.027	0.0319
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0355	0.0421
Onchocerca volvulus		0.013	0.3975	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0355	0.0207
Chlamydia trachomatis	dihydrofolate reductase	0.026	0.8432	1
Brugia malayi	Dihydrofolate reductase	0.026	0.8432	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0355	0.0207
Brugia malayi	Importin beta-1 subunit	0.0029	0.0529	0.0317
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0046	0.1125	0.3024
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1645	0.1413
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0355	0.0418
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0046	0.1125	0.1326
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1645	0.1413
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0355	0.0421
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0344	0.0405
Onchocerca volvulus		0.0024	0.0355	0.0893
Schistosoma mansoni	dihydrofolate reductase	0.026	0.8432	0.8389
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0151	0.0179
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0355	0.0418
Trichomonas vaginalis	alpha-amylase, putative	0.0104	0.3097	1
Leishmania major	GTP-binding protein, putative	0.0021	0.027	0.0319
Echinococcus granulosus	thymidylate synthase	0.013	0.3975	0.3807
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0046	0.1125	0.0878
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0529	0.0623
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.1655	0.195
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0529	0.0623
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0355	0.0103
Echinococcus granulosus	dihydrofolate reductase	0.026	0.8432	0.8389
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.027	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0355	0.0207
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.1961	0.1738
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0262	0.8485	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0355	0.0421
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0355	0.0421
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.026	0.8432	1
Brugia malayi	hypothetical protein	0.0062	0.1655	0.1696
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0355	0.0299
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0046	0.1125	0.1326
Entamoeba histolytica	alpha-amylase family protein	0.0104	0.3097	1
Brugia malayi	hypothetical protein	0.0071	0.1961	0.2072
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.1645	0.1517
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0046	0.1125	0.1047
Brugia malayi	RNA, U transporter 1	0.0082	0.2334	0.2528
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0046	0.1125	0.1176
Plasmodium falciparum	importin beta, putative	0.0029	0.0529	0.0453
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0355	0.0299
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.0046	0.1125	0.1334
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0529	0.0623
Trichomonas vaginalis	alpha-amylase, putative	0.0104	0.3097	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.027	0.0143
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.0046	0.1125	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0355	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1125	0.0989
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1645	0.1413
Trichomonas vaginalis	amylase, putative	0.0046	0.1125	0.3024
Brugia malayi	dihydrofolate reductase family protein	0.026	0.8432	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0118	0.0141
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0355	0.0421
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.1655	0.4898
Loa Loa (eye worm)	thymidylate synthase	0.013	0.3975	0.3882
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0355	0.0421
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.027	0.0319
Schistosoma mansoni	starch branching enzyme II	0.0046	0.1125	0.0878
Trichomonas vaginalis	starch branching enzyme II, putative	0.0046	0.1125	0.3024
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0151	0.0179
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0344	0.0259
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0355	0.0418
Trichomonas vaginalis	alpha-amylase, putative	0.0104	0.3097	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0344	0.0405
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0529	0.0266
Brugia malayi	thymidylate synthase	0.013	0.3975	0.4538
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0355	0.0421
Schistosoma mansoni	hypothetical protein	0.0071	0.1961	0.1738
Toxoplasma gondii	glycosyltransferase	0.0046	0.1125	0.1326
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0355	0.0421
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1645	0.1413
Echinococcus multilocularis	dihydrofolate reductase	0.026	0.8432	0.8389
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.1961	0.1738
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.013	0.3975	0.4481
Entamoeba histolytica	hypothetical protein	0.0071	0.1961	0.5983
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0046	0.1125	0.0878
Schistosoma mansoni	hypothetical protein	0.0306	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.1645	0.1517
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.3975	0.4714
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.1961	0.1738
Trypanosoma brucei	pteridine reductase 1	0.0235	0.7552	0.8901
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0046	0.1125	0.3024
Trichomonas vaginalis	alpha-amylase, putative	0.0093	0.2709	0.8627
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0262	0.8485	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.027	0.0319
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0118	0.0141
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.1645	0.1685
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.027	0.0143
Echinococcus granulosus	tar DNA binding protein	0.0061	0.1645	0.1413
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.1645	0.1413
Loa Loa (eye worm)	RNA binding protein	0.0061	0.1645	0.1517
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.3975	0.3807
Mycobacterium tuberculosis	Hypothetical protein	0.0062	0.1655	0.1963
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0355	0.0421
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.027	0.0319
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0344	0.0259
Leishmania major	pteridine reductase 1	0.0238	0.7658	0.9026
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0529	0.0266
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0118	0.0141
Entamoeba histolytica	hypothetical protein	0.0071	0.1961	0.5983
Mycobacterium ulcerans	glycogen branching protein	0.0046	0.1125	0.1334
Mycobacterium ulcerans	thymidylate synthase	0.013	0.3975	0.4714
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.026	0.8432	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.026	0.8432	1
Schistosoma mansoni	importin beta-1	0.0029	0.0529	0.0266
Entamoeba histolytica	hypothetical protein	0.0071	0.1961	0.5983
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0262	0.8485	1
Trichomonas vaginalis	amylase, putative	0.0104	0.3097	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1645	0.1413
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0355	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0529	0.0383
Entamoeba histolytica	alpha-amylase family protein	0.0104	0.3097	1
Brugia malayi	RNA binding protein	0.0061	0.1645	0.1685
Entamoeba histolytica	hypothetical protein	0.0071	0.1961	0.5983
Trichomonas vaginalis	alpha-amylase, putative	0.0104	0.3097	1
Echinococcus multilocularis	thymidylate synthase	0.013	0.3975	0.3807
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0529	0.0453
Echinococcus multilocularis	snurportin 1	0.0306	1	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0262	0.8485	1
Brugia malayi	TAR-binding protein	0.0061	0.1645	0.1685
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0306	1	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0262	0.8485	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0344	0.0259
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0262	0.8485	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0355	0.0103
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0118	0.0141
Entamoeba histolytica	hypothetical protein	0.0023	0.0344	0.0259
Loa Loa (eye worm)	dihydrofolate reductase	0.026	0.8432	0.8408

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.62 uM	Inhibition of Pneumocystis carinii DHFR	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: CHEMBL2282814

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1802079