TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.497 | Formula: C23H30N2O
H donors: 0 H acceptors: 1 LogP: 3.61 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C2=C(C(N1CC1CCN(CC1)CCc1ccccc1)C)CC=CC2
InChi: 1S/C23H30N2O/c1-18-21-9-5-6-10-22(21)23(26)25(18)17-20-12-15-24(16-13-20)14-11-19-7-3-2-4-8-19/h2-8,18,20H,9-17H2,1H3
InChiKey: GFEHKHWLVNFFRC-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	chemokine (C-C motif) receptor 3	Starlite/ChEMBL	References

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
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0106	0.1234	0.6513
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0043	0.0304	0.048
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0332	0.0524
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0532	0.0839
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0332	0.0524
Schistosoma mansoni	6-phosphofructokinase	0.0106	0.1234	0.3222
Entamoeba histolytica	phosphofructokinase, putative	0.0106	0.1234	0.6513
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0332	0.0654
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.036	0.0568
Loa Loa (eye worm)	MBCTL1	0.0053	0.0455	0.1412
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.036	0.0568
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0455	0.1188
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0147	0.1842	0.2905
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0332	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1842	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.036	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0453	0.6341	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0332	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0069	0.069	0.2868
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0043	0.0304	0.1183
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.036	0.0568
Brugia malayi	6-phosphofructokinase	0.0106	0.1234	0.6636
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.1234	0.6513
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0147	0.1842	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0455	0.0717
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0288	0.0379
Brugia malayi	Bromodomain containing protein	0.0073	0.0751	0.3967
Schistosoma mansoni	6-phosphofructokinase	0.0106	0.1234	0.3222
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0043	0.0304	0.1183
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0147	0.1842	0.2905
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0147	0.1842	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0453	0.6341	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0192	0.0302
Brugia malayi	6-phosphofructokinase	0.0106	0.1234	0.6636
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0332	0.0867
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0455	0.0717
Echinococcus multilocularis	neuropeptide s receptor	0.0453	0.6341	1
Echinococcus granulosus	6 phosphofructokinase	0.0106	0.1234	0.1946
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0147	0.1842	1
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0043	0.0304	0.1183
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0332	0.0524
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0147	0.1842	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.1234	0.6513
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0043	0.0304	0.0794
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0455	0.0717
Echinococcus granulosus	neuropeptide receptor A26	0.0453	0.6341	1
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.0702	1	0.5
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0455	0.0717
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0332	0.165
Loa Loa (eye worm)	hypothetical protein	0.004	0.026	0.021
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0147	0.1842	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0106	0.1234	0.6235
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0455	0.1412
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.036	0.0941
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0043	0.0304	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0046	0.036	0.0827
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.036	0.0941
Loa Loa (eye worm)	6-phosphofructokinase	0.0106	0.1234	0.6235
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0532	0.0839
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.036	0.0827
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0147	0.1842	1
Loa Loa (eye worm)	phosphofructokinase	0.0106	0.1234	0.6235
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0043	0.0304	0.1183
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.036	0.0941
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0043	0.0304	0.1494
Brugia malayi	mbt repeat family protein	0.0046	0.036	0.1805
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0147	0.1842	1
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0043	0.0304	0.048
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0147	0.1842	0.481
Echinococcus multilocularis	6 phosphofructokinase	0.0106	0.1234	0.1946
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0192	0.0302
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0583	0.1523
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0147	0.1842	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0183	0.2369	0.3736
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0183	0.2369	0.3736
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0043	0.0304	0.1183
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0702	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0332	0.0867
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0455	0.2328
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0043	0.0304	0.1183
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.1234	0.6513
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0043	0.0304	0.048
Entamoeba histolytica	phosphofructokinase, putative	0.0106	0.1234	0.6513
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0043	0.0304	0.1183
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0147	0.1842	1
Brugia malayi	mbt repeat family protein	0.0046	0.036	0.1805
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.036	0.0568
Trichomonas vaginalis	phosphofructokinase, putative	0.0106	0.1234	0.6513
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.0702	1	1
Brugia malayi	phosphofructokinase	0.0106	0.1234	0.6636
Entamoeba histolytica	phosphofructokinase, putative	0.0106	0.1234	0.6513
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0106	0.1234	1
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0147	0.1842	1
Brugia malayi	Bromodomain containing protein	0.0037	0.0226	0.106
Schistosoma mansoni	hypothetical protein	0.0282	0.3829	1
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0147	0.1842	1
Onchocerca volvulus		0.0046	0.036	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 12 uM	Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells	ChEMBL.	12166951
IC50 (binding)	= 12 uM	Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells	ChEMBL.	12166951

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 215715