TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 280.757 | Formula: C12H17ClN6
H donors: 1 H acceptors: 4 LogP: 3.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1(CCCCC1)Nc1nc(Cl)nc(n1)N(C)C
InChi: 1S/C12H17ClN6/c1-19(2)11-16-9(13)15-10(17-11)18-12(8-14)6-4-3-5-7-12/h3-7H2,1-2H3,(H,15,16,17,18)
InChiKey: CLDROBCDHBIQRG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphodiesterase 4A, cAMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	Get druggable targets OG5_128242	All targets in OG5_128242
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	Get druggable targets OG5_128242	All targets in OG5_128242
Neospora caninum	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	Get druggable targets OG5_128242	All targets in OG5_128242

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
Loa Loa (eye worm)	MBOAT family protein	0.0448	0.1327	0.1327
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.2664	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0448	0.1327	0.3115
Toxoplasma gondii	hypothetical protein	0.0677	0.2223	0.2173
Echinococcus multilocularis	dihydrofolate reductase	0.0248	0.0547	0.0547
Brugia malayi	MBOAT family protein	0.0448	0.1327	0.1327
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0448	0.1327	0.3115
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0448	0.1327	0.1327
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0448	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1327	0.1327
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0448	0.1327	0.1327
Onchocerca volvulus		0.0237	0.0502	0.3781
Brugia malayi	MBOAT family protein	0.0448	0.1327	0.1327
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0237	0.0502	0.0502
Giardia lamblia	Rab geranylgeranyltransferase	0.0237	0.0502	0.1416
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0237	0.0502	0.0502
Chlamydia trachomatis	dihydrofolate reductase	0.0248	0.0547	0.5
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0914	0.3151	1
Echinococcus multilocularis	sterol O acyltransferase 1	0.0448	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0065	0.0065
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.2664	1	1
Trypanosoma brucei	glycerol uptake protein, putative	0.0448	0.1327	1
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0237	0.0502	0.0024
Brugia malayi	Dihydrofolate reductase	0.0248	0.0547	0.0547
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0448	0.1327	0.1327
Trypanosoma cruzi	glycerol uptake protein, putative	0.0448	0.1327	1
Brugia malayi	MBOAT family protein	0.0448	0.1327	0.1327
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0914	0.3151	0.3151
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0914	0.3151	1
Leishmania major	glycerol uptake protein, putative	0.0448	0.1327	1
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0237	0.0502	0.0502
Loa Loa (eye worm)	dihydrofolate reductase	0.0248	0.0547	0.0547
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0237	0.0502	0.0024
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0448	0.1327	0.3115
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0448	0.1327	0.1327
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0482	0.146	0.146
Loa Loa (eye worm)	hypothetical protein	0.0914	0.3151	0.3151
Entamoeba histolytica	hypothetical protein, conserved	0.0448	0.1327	0.3115
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0448	0.1327	0.1327
Loa Loa (eye worm)	MBOAT family protein	0.0448	0.1327	0.1327
Echinococcus granulosus	sterol O acyltransferase 1	0.0448	0.1327	0.1327
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0914	0.3151	0.2806
Toxoplasma gondii	hypothetical protein	0.0448	0.1327	0.127
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0448	0.1327	0.1327
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0448	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1327	0.1327
Loa Loa (eye worm)	MBOAT family protein	0.0448	0.1327	0.1327
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0237	0.0502	0.0269
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0237	0.0502	0.0269
Giardia lamblia	Rab geranylgeranyltransferase	0.0914	0.3151	1
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0914	0.3151	0.3151
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0448	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.2216	0.8248	0.8248
Trypanosoma cruzi	GUP1, putative	0.0448	0.1327	1
Leishmania major	glycerol uptake protein, putative	0.0448	0.1327	1
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0237	0.0502	0.0269
Brugia malayi	dihydrofolate reductase family protein	0.0248	0.0547	0.0547
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0448	0.1327	0.1327
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0448	0.1327	0.1327
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0914	0.3151	0.3151
Trypanosoma cruzi	hypothetical protein, conserved	0.0237	0.0502	0.0269
Loa Loa (eye worm)	hhat protein	0.0448	0.1327	0.1327
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0125	0.0065	0.0065
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0237	0.0502	0.0269
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0248	0.0547	1
Trichomonas vaginalis	conserved hypothetical protein	0.0448	0.1327	0.3115
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0237	0.0502	0.0502
Trichomonas vaginalis	porcupine, putative	0.0448	0.1327	0.3115
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0448	0.1327	0.1327
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0914	0.3151	0.3151
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1327	0.1327
Toxoplasma gondii	hypothetical protein	0.0237	0.0502	0.044
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0448	0.1327	0.1327
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0914	0.3151	0.2806
Trypanosoma brucei	hypothetical protein, conserved	0.0237	0.0502	0.0269
Schistosoma mansoni	hypothetical protein	0.0448	0.1327	0.1327
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0231	0.0479	0.0417
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0237	0.0502	0.0269
Entamoeba histolytica	vacuolar protein sorting 26	0.0448	0.1327	0.3115
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0448	0.1327	0.3115
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0248	0.0547	1
Leishmania major	hypothetical protein, conserved	0.0448	0.1327	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0482	0.146	0.146
Trypanosoma cruzi	glycerol uptake protein, putative	0.0448	0.1327	1
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.2664	1	1
Schistosoma mansoni	sterol O-acyltransferase 1	0.0448	0.1327	0.1327
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0448	0.1327	0.3115
Treponema pallidum	alginate O-acetylation protein (algI)	0.0448	0.1327	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0448	0.1327	1
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0448	0.1327	0.1327
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0448	0.1327	0.1327
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0914	0.3151	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0125	0.0065	0.0065
Brugia malayi	Hhat protein	0.0448	0.1327	0.1327
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0125	0.0065	0.0065
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0237	0.0502	0.0502
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0237	0.0502	0.0502
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.2664	1	1
Leishmania major	glycerol uptake protein, putative	0.0448	0.1327	1
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.2664	1	1
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0237	0.0502	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1327	0.1327
Leishmania major	glycerol uptake protein, putative	0.0448	0.1327	1
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.2664	1	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0248	0.0547	1
Schistosoma mansoni	dihydrofolate reductase	0.0248	0.0547	0.0547
Loa Loa (eye worm)	hhat protein	0.0448	0.1327	0.1327
Onchocerca volvulus		0.0448	0.1327	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0237	0.0502	0.0269
Trypanosoma cruzi	GUP1, putative	0.0448	0.1327	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0448	0.1327	0.1327
Brugia malayi	MBOAT family protein	0.0448	0.1327	0.1327
Schistosoma mansoni	zinc finger protein	0.0448	0.1327	0.1327
Trypanosoma brucei	glycerol uptake protein, putative	0.0448	0.1327	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0914	0.3151	1
Trichomonas vaginalis	conserved hypothetical protein	0.0448	0.1327	0.3115
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0448	0.1327	0.1327
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0125	0.0065	0.0065
Brugia malayi	MBOAT family protein	0.0448	0.1327	0.1327
Leishmania major	glycerol uptake protein, putative	0.0448	0.1327	1
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.2664	1	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0125	0.0065	0.0065
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0448	0.1327	0.1327
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0448	0.1327	0.1327
Echinococcus granulosus	dihydrofolate reductase	0.0248	0.0547	0.0547
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0677	0.2223	0.65
Entamoeba histolytica	hypothetical protein	0.0448	0.1327	0.3115
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0237	0.0502	0.0269
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0237	0.0502	0.0502
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0448	0.1327	0.1327
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.2664	1	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0914	0.3151	0.3151

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 668 nM	Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 cells	ChEMBL.	23806553

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: CHEMBL2402515

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1778597