TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.569 | Formula: C24H37N3O2
H donors: 1 H acceptors: 1 LogP: 3.93 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1C(=O)NCC1(CCCCC1)N1CCN(CC1)C1CCC1
InChi: 1S/C24H37N3O2/c1-2-29-22-12-5-4-11-21(22)23(28)25-19-24(13-6-3-7-14-24)27-17-15-26(16-18-27)20-9-8-10-20/h4-5,11-12,20H,2-3,6-10,13-19H2,1H3,(H,25,28)
InChiKey: GKHQMAHQZSEGLJ-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	hyperpolarization activated cyclic nucleotide-gated potassium channel 1	Starlite/ChEMBL	References
Homo sapiens	hyperpolarization activated cyclic nucleotide-gated potassium channel 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3, putative	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	IPR013621,Ion transport N-terminal,domain-containing	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, putative	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, putative	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, putative	Get druggable targets OG5_128920	All targets in OG5_128920
Echinococcus multilocularis	hyperpolarization activated cyclic	Get druggable targets OG5_128920	All targets in OG5_128920
Echinococcus multilocularis	hyperpolarization activated cyclic	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128920	All targets in OG5_128920
Echinococcus granulosus	hyperpolarization activated cyclic	Get druggable targets OG5_128920	All targets in OG5_128920
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_128920	All targets in OG5_128920
Echinococcus granulosus	hyperpolarization activated cyclic	Get druggable targets OG5_128920	All targets in OG5_128920
Echinococcus granulosus	potassium:sodium hyperpolarization activated	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	ko:K08282 non-specific serine/threonine protein kinase [EC2.7.11.1], putative	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	Get druggable targets OG5_128920	All targets in OG5_128920
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, putative	Get druggable targets OG5_128920	All targets in OG5_128920
Schistosoma japonicum	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, putative	Get druggable targets OG5_128920	All targets in OG5_128920

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
Schistosoma mansoni	chromobox protein	0.0077	0.1312	0.1312
Brugia malayi	Heterochromatin protein 1	0.0077	0.1312	0.1312
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0294	0.613	0.613
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0757	0.0757
Toxoplasma gondii	hypothetical protein	0.0091	0.1621	1
Onchocerca volvulus		0.0091	0.1621	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0558	0.2425
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0294	0.613	0.613
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0672	0.0672
Onchocerca volvulus		0.0091	0.1621	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0672	0.0672
Schistosoma mansoni	hypothetical protein	0.0023	0.0109	0.0109
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0558	0.0558
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0549	0.0549
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0091	0.1621	0.1621
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Echinococcus granulosus	chromobox protein 1	0.0077	0.1312	0.1312
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1352	0.1352
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0091	0.1621	0.1621
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0	0.5
Brugia malayi	Bromodomain containing protein	0.0043	0.0547	0.0547
Echinococcus granulosus	tumor protein p63	0.0357	0.7526	0.7526
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0019	0.002	0.002
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0631	0.2209
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0277	0.1205
Echinococcus multilocularis	zinc finger protein	0.0022	0.0082	0.0082
Echinococcus granulosus	hyperpolarization activated cyclic	0.0294	0.613	0.613
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0672	0.0672
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0558	0.1635
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.1312	0.57
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0091	0.1621	0.1621
Loa Loa (eye worm)	heterochromatin protein 1	0.0077	0.1312	0.1312
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.002	0.002
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0631	0.2742
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0091	0.1621	0.1621
Plasmodium falciparum	amino acid transporter, putative	0.0091	0.1621	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0294	0.613	0.613
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0672	0.0672
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0672	0.0672
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0468	1	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0672	0.0672
Schistosoma mansoni	chromobox protein	0.0077	0.1312	0.1312
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0757	0.0757
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0091	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.002	0.002
Echinococcus granulosus	zinc finger protein	0.0022	0.0082	0.0082
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0631	0.2742
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.1079	0.1079
Onchocerca volvulus		0.0091	0.1621	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0091	0.1621	0.1621
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0558	0.2425
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0019	0.002	0.002
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0294	0.613	0.613
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0608	0.0608
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0091	0.1621	0.1621
Brugia malayi	hypothetical protein	0.0091	0.1621	0.1621
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0091	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0655	0.0655
Brugia malayi	PHD-finger family protein	0.0028	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Plasmodium falciparum	transporter, putative	0.0091	0.1621	1
Brugia malayi	Bromodomain containing protein	0.0084	0.1458	0.1458
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0156	0.0156
Loa Loa (eye worm)	bromodomain containing protein	0.002	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0672	0.0672
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0488	0.0488
Brugia malayi	chromobox protein homolog 3	0.0043	0.0558	0.0558
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Echinococcus granulosus	chromobox protein 1	0.0077	0.1312	0.1312
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0468	1	1
Loa Loa (eye worm)	serotonin transporter b	0.0091	0.1621	0.1621
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	0.1621
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Schistosoma mansoni	hypothetical protein	0.0172	0.3426	0.3426
Echinococcus multilocularis	hypothetical protein	0.0172	0.3426	0.3426
Plasmodium vivax	amine transporter, putative	0.0091	0.1621	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	0.1621
Treponema pallidum	sodium- and chloride- dependent transporter	0.0091	0.1621	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0122	0.2301	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0091	0.1621	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0294	0.613	0.613
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0156	0.0156
Schistosoma mansoni	sodium/chloride dependent transporter	0.0091	0.1621	0.1621
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Plasmodium vivax	hypothetical protein, conserved	0.0091	0.1621	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0019	0.002	0.002
Schistosoma mansoni	zinc finger protein	0.0022	0.0082	0.0082
Schistosoma mansoni	sodium/chloride dependent transporter	0.0468	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0019	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0034	0.035	0.035
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0109	0.0109
Echinococcus granulosus	serotonin transporter	0.0091	0.1621	0.1621
Echinococcus multilocularis	serotonin transporter	0.0091	0.1621	0.1621
Onchocerca volvulus		0.0052	0.0757	0.3201
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.002	0.002
Echinococcus multilocularis	tumor protein p63	0.0357	0.7526	0.7526
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0091	0.1621	0.1621
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0294	0.613	0.613
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.1079	0.1079
Echinococcus granulosus	Ion_trans_N domain containing protein	0.0172	0.3426	0.3426
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0091	0.1621	0.1621
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.1312	0.57
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.002	0.002
Toxoplasma gondii	hypothetical protein	0.0091	0.1621	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	0.1621
Echinococcus multilocularis	chromobox protein 1	0.0077	0.1312	0.1312
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0468	1	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0116	0.2171	0.2171
Schistosoma mansoni	bromodomain containing protein	0.0071	0.1167	0.1167
Onchocerca volvulus		0.0091	0.1621	1
Loa Loa (eye worm)	norepinephrine transporter	0.0091	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1621	0.1621
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0091	0.1621	0.1621
Echinococcus granulosus	sodium and chloride dependent glycine	0.0468	1	1
Echinococcus multilocularis	chromobox protein 1	0.0077	0.1312	0.1312
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0672	0.0672
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0091	0.1621	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0019	0.002	0.002
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0277	0.1205
Schistosoma mansoni	sodium/chloride dependent transporter	0.0468	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0672	0.0672
Echinococcus granulosus	hyperpolarization activated cyclic	0.0294	0.613	0.613
Loa Loa (eye worm)	hypothetical protein	0.0468	1	1
Loa Loa (eye worm)	hypothetical protein	0.0468	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0091	0.1621	0.1621
Echinococcus granulosus	sodium and chloride dependent glycine	0.0468	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0488	0.0488

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.1	Inhibition of human HCN4 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay	ChEMBL.	21824780
IC50 (binding)	= 7.1	Inhibition of human HCN1 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay	ChEMBL.	21824780

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: CHEMBL1823880

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 1033485