TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 409.495 | Formula: C28H24FNO
H donors: 0 H acceptors: 1 LogP: 6.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)ccc(c2)CN1CCC(C1)C(=O)c1ccccc1c1ccccc1
InChi: 1S/C28H24FNO/c29-25-13-12-22-16-20(10-11-23(22)17-25)18-30-15-14-24(19-30)28(31)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-13,16-17,24H,14-15,18-19H2
InChiKey: GVJBLPDTPTULKQ-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
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0229	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0229	0.0196
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0077	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0127	0.0093
Echinococcus multilocularis	lamin dm0	0.0031	0.0154	0.0154
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0229	0.0528
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.1413	1	1
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0229	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0229	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0154	0.012
Schistosoma mansoni	lamin	0.0031	0.0154	0.0154
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0154	0.012
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0229	0.0196
Echinococcus multilocularis	microtubule associated protein 2	0.0804	0.5661	0.5661
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0043
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0229	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0149	0.0116
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0229	0.0229
Echinococcus granulosus	lamin dm0	0.0031	0.0154	0.0154
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0127	0.5533
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0229	0.0528
Brugia malayi	beta-lactamase family protein	0.0042	0.0229	0.018
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0127	0.0077
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0154	0.0105
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.1413	1	1
Trichomonas vaginalis	esterase, putative	0.0042	0.0229	0.0229
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0069	0.0159
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.1413	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0229	0.0229
Mycobacterium ulcerans	hypothetical protein	0.0617	0.4326	1
Treponema pallidum	bacterioferrin (TpF1)	0.001	0	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0229	0.0528
Schistosoma mansoni	lamin	0.0031	0.0154	0.0154
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.1413	1	0.5
Brugia malayi	intermediate filament protein	0.0031	0.0154	0.0105
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0229	0.0528
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.1413	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.0921	0.0891
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.1413	1	1
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1413	1	1
Echinococcus multilocularis		0.1413	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0127	0.0292
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1413	1	1
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.1413	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0229	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0069	0.0159
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0229	0.0196
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.0921	0.0891
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0127	0.0093
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0127	0.0292
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0127	0.0077
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.1413	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.0804	0.5661	0.5661
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0069	0.0159
Brugia malayi	MH2 domain containing protein	0.0139	0.0921	0.0876
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.1413	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0127	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0043
Echinococcus granulosus	microtubule associated protein 2	0.0804	0.5661	0.5661
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0229	0.0196
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0229	0.0528
Mycobacterium ulcerans	lipase LipD	0.0042	0.0229	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0038	0.0004
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0229	0.018
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.1413	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.184	0.4254
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0127	0.0292
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0127	0.0292
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.1413	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0229	0.0229
Onchocerca volvulus		0.0042	0.0229	1
Onchocerca volvulus		0.0042	0.0229	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0229	0.0528
Brugia malayi	beta-lactamase family protein	0.0042	0.0229	0.018
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0077	0.0177
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1413	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0229	0.0229
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0229	0.0528
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0229	0.0528
Onchocerca volvulus		0.0042	0.0229	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0043
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0127	0.0292
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0229	0.0528
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0229	0.0528
Echinococcus granulosus	intermediate filament protein	0.0031	0.0154	0.0154
Echinococcus granulosus	lamin	0.0031	0.0154	0.0154
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0127	0.0292
Leishmania major	hypothetical protein, conserved	0.0042	0.0229	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0229	0.0196
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0229	0.0229
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0229	0.0528
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0229	0.0229
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.005	0.0016
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.1413	1	1
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0127	0.0292
Onchocerca volvulus		0.0031	0.0154	0.2651
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0127	0.0292
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0229	0.0528
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0617	0.4326	1
Onchocerca volvulus		0.0031	0.0154	0.2651
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0038	0.0038
Echinococcus multilocularis	musashi	0.0031	0.0154	0.0154
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0127	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0077	0.0043
Brugia malayi	beta-lactamase	0.0042	0.0229	0.018
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0229	0.0229
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0127	0.5533
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0229	0.0196
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0154	0.012
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0127	0.0093
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0229	0.0528
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.1413	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0229	0.0229
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0077	0.5
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0229	0.0528
Echinococcus multilocularis	lamin	0.0031	0.0154	0.0154
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0069	0.0159
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0154	0.0154
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0127	0.0077

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 320 nM	Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium flux	ChEMBL.	19620010

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: CHEMBL561941

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 1052140