TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.408 | Formula: C22H22O3
H donors: 0 H acceptors: 1 LogP: 3.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC12C=CC(O1)C(C2c1cccc(c1)OC)C(=O)c1ccccc1
InChi: 1S/C22H22O3/c1-3-22-13-12-18(25-22)19(21(23)15-8-5-4-6-9-15)20(22)16-10-7-11-17(14-16)24-2/h4-14,18-20H,3H2,1-2H3
InChiKey: IQFCWDUVQCSBGP-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

No curated genes were found associated with this compound

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)	MH2 domain-containing protein	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0489	0.0489
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0233	0.0342
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1543	0.227
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0914	0.0914
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.2677	0.3939
Echinococcus multilocularis	muscleblind protein	0.0157	0.5935	0.87
Schistosoma mansoni	hypothetical protein	0.0077	0.2677	0.3939
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0233	0.0342
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0489	0.0489
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0238	0.0238
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0164	0.0242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0238	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1543	0.2078
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0489	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0244	0.0244
Schistosoma mansoni	hypothetical protein	0.0016	0.0164	0.0242
Brugia malayi	hypothetical protein	0.0077	0.2677	0.2677
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1543	0.227
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1543	0.227
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0238	0.0238
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0233	0.0103
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0489	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0489	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0157	0.5935	0.5935
Echinococcus granulosus	GPCR family 2	0.0016	0.0164	0.0242
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0238	0.0111
Leishmania major	cathepsin L-like protease	0.0067	0.2259	1
Echinococcus granulosus	cathepsin l1	0.0018	0.0238	0.035
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0244	0.0244
Echinococcus multilocularis	Smad4	0.0017	0.0233	0.0103
Entamoeba histolytica	hypothetical protein	0.0077	0.2677	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0244	1
Onchocerca volvulus		0.0018	0.0238	0.4861
Brugia malayi	Muscleblind-like protein	0.0157	0.5935	0.5935
Loa Loa (eye worm)	hypothetical protein	0.005	0.1559	0.1559
Schistosoma mansoni	hypothetical protein	0.0178	0.6797	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0489	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1559	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0244	0.0244
Loa Loa (eye worm)	cysteine protease	0.0018	0.0238	0.0238
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0489	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1559	0.1559
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0489	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0244	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0164	0.0164
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0238	0.035
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0238	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.5935	0.87
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1543	0.1543
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0233	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0244	0.0244
Onchocerca volvulus		0.0018	0.0238	0.4861
Echinococcus granulosus	smad	0.0017	0.0233	0.0342
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0489	0.1827
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0238	0.0111
Brugia malayi	MH1 domain containing protein	0.0017	0.0233	0.0233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0489	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0238	0.0238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0238	0.0238
Echinococcus multilocularis	cysteine protease	0.0018	0.0238	0.0111
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0914	0.1344
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0233	0.0342
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1543	0.1543
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.2021	0.8824
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2259	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Toxoplasma gondii	cathepsin CPL	0.0018	0.0238	0.5
Entamoeba histolytica	hypothetical protein	0.0077	0.2677	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1543	0.227
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1543	0.227
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0489	0.1827
Echinococcus multilocularis	geminin	0.0178	0.6797	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0238	0.0238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0233	0.0342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Echinococcus granulosus	muscleblind protein	0.0157	0.5935	0.8732
Schistosoma mansoni	Smad4	0.0017	0.0233	0.0342
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0238	0.0111
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0489	0.1244
Schistosoma mansoni	smad	0.0017	0.0233	0.0342
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Leishmania major	cathepsin L-like protease	0.0067	0.2259	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0244	0.0244
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Loa Loa (eye worm)	ctsf protein	0.0018	0.0238	0.0238
Brugia malayi	MH2 domain containing protein	0.0017	0.0233	0.0233
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0489	0.1244
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0489	0.0489
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0489	1
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0238	0.0888
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0238	0.0238
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0244	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Onchocerca volvulus		0.0018	0.0238	0.4861
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.2259	1
Echinococcus granulosus	geminin	0.0178	0.6797	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.2677	0.3939
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1559	0.1559
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Leishmania major	cathepsin L-like protease	0.0067	0.2259	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0233	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0157	0.5935	0.5935
Onchocerca volvulus		0.0024	0.0489	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0238	0.0111
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0914	0.0914
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0489	0.1827
Brugia malayi	MH1 domain containing protein	0.0017	0.0233	0.0233
Schistosoma mansoni	hypothetical protein	0.0178	0.6797	1
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0238	0.0888
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0489	1
Brugia malayi	MH2 domain containing protein	0.0017	0.0233	0.0233
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0233	0.0233
Loa Loa (eye worm)	Smad1	0.0017	0.0233	0.0233
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.1672	0.7098
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0164	0.0164
Entamoeba histolytica	hypothetical protein	0.0077	0.2677	1
Brugia malayi	Smad1	0.0017	0.0233	0.0233
Schistosoma mansoni	hypothetical protein	0.0016	0.0164	0.0242
Schistosoma mansoni	hypothetical protein	0.0016	0.0164	0.0242
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0233	0.0342
Echinococcus multilocularis	cysteine protease	0.0018	0.0238	0.0111
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Echinococcus granulosus	Smad4	0.0017	0.0233	0.0342
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0489	0.0489
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0238	0.4861
Schistosoma mansoni	hypothetical protein	0.0016	0.0164	0.0242
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0238	0.0238
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0164	0.0164
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0238	0.035
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0238	0.0238
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0238	0.035
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0489	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0489	0.0489
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0489	0.1244
Onchocerca volvulus		0.0018	0.0238	0.4861
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0233	0.0233
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0238	0.4861
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0238	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2259	0.5
Echinococcus multilocularis	smad	0.0017	0.0233	0.0103
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0238	0.035
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0164	0.0164
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2259	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0244	0.139
Onchocerca volvulus		0.0018	0.0238	0.4861
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.2677	0.3789
Onchocerca volvulus		0.0018	0.0238	0.4861
Loa Loa (eye worm)	transcription factor SMAD2	0.0256	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0238	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2259	1
Entamoeba histolytica	hypothetical protein	0.0077	0.2677	1
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0238	0.0888
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0238	0.4861
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1543	0.2078
Onchocerca volvulus		0.0018	0.0238	0.4861
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0164	0.0242
Loa Loa (eye worm)	fibroinase	0.0018	0.0238	0.0238
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0238	0.0238

Activities

Activity type	Activity value	Assay description	Source	Reference
IZ (functional)	= 16 mm	Antibacterial activity against Escherichia coli at 150 mg/ml after 24 hrs by well diffusion assay	ChEMBL.	23642965

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: CHEMBL2392510

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1776284