TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.586 | Formula: C27H36N2O3
H donors: 0 H acceptors: 2 LogP: 5.09 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC1CCCC1)C1(CCN(C1=O)CCC(C)C)Cc1ccncc1
InChi: 1S/C27H36N2O3/c1-20(2)12-16-29-17-13-27(26(29)30,19-21-10-14-28-15-11-21)22-8-9-24(31-3)25(18-22)32-23-6-4-5-7-23/h8-11,14-15,18,20,23H,4-7,12-13,16-17,19H2,1-3H3
InChiKey: PDJCJBJJRNNEMG-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphodiesterase 4D, 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 4D, putative	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
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	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
Echinococcus multilocularis	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
Echinococcus granulosus	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
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium hominis	hypothetical protein	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
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	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 japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative	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

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
Toxoplasma gondii	aspartyl protease ASP1	0.0116	0.0899	0.3668
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1101	0.1663
Chlamydia trachomatis	peptide deformylase	0.0227	0.2194	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.1101	0.1048
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Giardia lamblia	CDC72	0.0523	0.5646	1
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0227	0.2194	0.5
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0087	0.0556	0.089
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.0849	0.1206
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0899	0.1358
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0133	0.1095	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0891	0.1346
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0087	0.0556	0.089
Onchocerca volvulus		0.0079	0.0474	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0849	0.1282
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0133	0.1095	0.1603
Brugia malayi	Pepsin A precursor	0.0079	0.0474	0.0659
Trypanosoma brucei	N-myristoyltransferase	0.0523	0.5646	1
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0523	0.5646	1
Brugia malayi	hypothetical protein	0.0079	0.0474	0.0659
Plasmodium vivax	aspartyl proteinase, putative	0.0116	0.0899	0.0823
Brugia malayi	cathepsin B-like cysteine proteinase	0.0133	0.1101	0.1612
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.1101	0.1048
Brugia malayi	hypothetical protein	0.0079	0.0474	0.0659
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0227	0.2194	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0098	0.069	0.1223
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0098	0.069	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0474	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0474	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1095	0.1654
Loa Loa (eye worm)	N-myristoyltransferase 2	0.0523	0.5646	0.8527
Loa Loa (eye worm)	POT family protein	0.0042	0.004	0.0061
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.0191	0.0133
Brugia malayi	N-myristoyltransferase 2	0.0523	0.5646	0.8518
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0079	0.0474	0.181
Toxoplasma gondii	aspartyl protease ASP3	0.024	0.235	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.0849	0.3447
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0098	0.069	0.0916
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0133	0.1101	0.1865
Brugia malayi	calpain family protein 1	0.0053	0.0163	0.0187
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0133	0.1095	0.1658
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0133	0.1095	0.194
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.0849	0.1206
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0093	0.014
Brugia malayi	aspartic protease BmAsp-2, identical	0.0079	0.0474	0.0659
Brugia malayi	aspartic protease BmAsp-1, identical	0.0079	0.0474	0.0659
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.0523	0.5646	1
Plasmodium vivax	aspartyl protease, putative	0.024	0.235	0.3629
Toxoplasma gondii	hypothetical protein	0.0227	0.2194	0.9316
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0116	0.0899	0.3668
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0087	0.0556	0.089
Leishmania major	N-myristoyl transferase, putative	0.0523	0.5646	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0087	0.0556	0.089
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0112	0.0849	0.0795
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0055	0.0191	0.0338
Plasmodium falciparum	plasmepsin I	0.0116	0.0899	0.0823
Schistosoma mansoni	N-myristoyltransferase	0.0523	0.5646	0.562
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0523	0.5646	1
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0606	0.6621	1
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.0523	0.5646	0.5
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.0523	0.5646	1
Onchocerca volvulus		0.0079	0.0474	0.5
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.0191	0.0133
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0079	0.0474	0.0659
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0116	0.0899	0.1593
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0098	0.0688	0.0912
Mycobacterium ulcerans	peptide deformylase	0.0227	0.2194	0.5
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0133	0.1095	0.1855
Trypanosoma brucei	N-myristoyl transferase, putative	0.0523	0.5646	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.0133	0.1095	0.1042
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.0523	0.5646	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0087	0.0556	0.089
Plasmodium falciparum	peptide deformylase	0.0227	0.2194	0.3325
Plasmodium falciparum	plasmepsin X	0.024	0.235	0.3629
Plasmodium vivax	peptide deformylase, putative	0.0227	0.2194	0.3325
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0098	0.069	0.0988
Plasmodium falciparum	plasmepsin VI	0.0116	0.0899	0.0823
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0133	0.1095	0.1855
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.0849	0.1503
Leishmania major	polypeptide deformylase-like protein, putative	0.0087	0.0556	0.089
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0343	0.3554	0.6255
Schistosoma mansoni	cathepsin D (A01 family)	0.049	0.5262	0.5234
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.0523	0.5646	1
Plasmodium vivax	aspartyl protease, putative	0.024	0.235	0.3629
Trypanosoma brucei	Peptide deformylase 2	0.0087	0.0556	0.089
Plasmodium falciparum	plasmepsin IX	0.024	0.235	0.3629
Echinococcus multilocularis	cathepsin b	0.0133	0.1101	0.195
Echinococcus multilocularis	calpain A	0.0055	0.0191	0.0338
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.0163	0.0246
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0523	0.5646	1
Loa Loa (eye worm)	cathepsin B	0.0044	0.0059	0.0089
Echinococcus multilocularis	cathepsin b	0.0133	0.1101	0.195
Plasmodium falciparum	plasmepsin II	0.0116	0.0899	0.0823
Plasmodium falciparum	plasmepsin IV	0.0116	0.0899	0.0823
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0899	0.0845
Brugia malayi	calpain family protein 1	0.0053	0.0163	0.0187
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0133	0.1095	0.1855
Schistosoma mansoni	cathepsin D (A01 family)	0.049	0.5262	0.5234
Plasmodium vivax	plasmepsin IV, putative	0.0116	0.0899	0.0823
Brugia malayi	Subtilase family protein	0.0261	0.2597	0.3885
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0133	0.1101	0.1048
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0116	0.0899	0.1299
Echinococcus granulosus	cathepsin b	0.0133	0.1101	0.1668
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0261	0.2597	0.2553
Loa Loa (eye worm)	subtilase	0.0261	0.2597	0.3922
Echinococcus granulosus	cathepsin b	0.0133	0.1101	0.1668
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0116	0.0899	0.1504
Brugia malayi	Angiotensin-converting enzyme family protein	0.0606	0.6621	1
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0133	0.1095	0.1855
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0098	0.0688	0.1219
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0079	0.0474	0.0715
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0227	0.2194	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0079	0.0474	0.0417
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	0.0849	0.1414
Loa Loa (eye worm)	aspartyl protease 6	0.0079	0.0474	0.0715
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.1101	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0163	0.0246
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0116	0.0899	0.1358
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.0849	0.1503
Treponema pallidum	polypeptide deformylase (def)	0.0227	0.2194	0.5
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.0163	0.0105
Toxoplasma gondii	aspartyl protease	0.0079	0.0474	0.181

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 81 nM	In vitro inhibition of phosphodiesterase (PDE IV) from guinea pig macrophages.	ChEMBL.	9871693
IC50 (binding)	= 81 nM	In vitro inhibition of phosphodiesterase (PDE IV) from guinea pig macrophages.	ChEMBL.	9871693
Ki (binding)	= 80 nM	Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]-rolipram displacement.	ChEMBL.	9871693
Ki (binding)	= 80 nM	Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]-rolipram displacement.	ChEMBL.	9871693

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

No external resources registered for this compound

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 226139