TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.529 | Formula: C23H35NO3
H donors: 2 H acceptors: 3 LogP: 5.35 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C(=O)O)C
InChi: 1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)24-21(2)23(26)27/h4-5,7-8,10-11,13-14,16-17,21H,3,6,9,12,15,18-20H2,1-2H3,(H,24,25)(H,26,27)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChiKey: KOVJQSKMGZBKPQ-JEBPEJKESA-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)	hypothetical protein	0.0042	0.1407	0.1508
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1407	0.4888
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1407	0.0789
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0671	0.4424
Entamoeba histolytica	hypothetical protein	0.0042	0.1405	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1407	0.4888
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.1407	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0119	0.4296	0.481
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.1407	0.0789
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0119	0.4296	0.481
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.1407	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.1123	0.1184
Schistosoma mansoni	Smad4	0.0016	0.0427	0.1484
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1407	0.1508
Brugia malayi	MH1 domain containing protein	0.0009	0.0152	0.0075
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.1407	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1407	0.1508
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0152	0.0075
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0671	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1407	1
Mycobacterium leprae	Probable lipase LipE	0.0042	0.1407	0.5
Echinococcus multilocularis	GPCR, family 2	0.0038	0.1231	0.8668
Echinococcus multilocularis	Smad4	0.0016	0.0427	0.2577
Mycobacterium ulcerans	beta-lactamase	0.0042	0.1407	1
Brugia malayi	MH2 domain containing protein	0.0016	0.0427	0.0389
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.1405	0.4884
Toxoplasma gondii	ABC1 family protein	0.0042	0.1407	0.4526
Echinococcus multilocularis	smad	0.0016	0.0427	0.2577
Schistosoma mansoni	hypothetical protein	0.0081	0.2877	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0671	0.5
Schistosoma mansoni	Smad4	0.0007	0.0087	0.0302
Entamoeba histolytica	hypothetical protein	0.0042	0.1405	1
Schistosoma mansoni	cpg binding protein	0.0037	0.1198	0.4164
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1407	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0138	0.0386
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0427	0.2577
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0038	0.1231	0.1307
Schistosoma mansoni	cpg binding protein	0.0037	0.1198	0.4164
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0038	0.1231	0.8668
Loa Loa (eye worm)	hypothetical protein	0.0081	0.2877	0.3189
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.1407	0.0789
Trichomonas vaginalis	esterase, putative	0.0042	0.1407	1
Entamoeba histolytica	hypothetical protein	0.0042	0.1405	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.1407	1
Loa Loa (eye worm)	transcription factor SMAD2	0.024	0.8838	1
Loa Loa (eye worm)	Smad1	0.0016	0.0427	0.0389
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1407	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.2594	0.9014
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0218	0.0992
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.1407	0.1508
Onchocerca volvulus		0.0042	0.1407	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0427	0.0389
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1407	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.1407	0.1508
Onchocerca volvulus		0.0035	0.1123	0.7854
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1407	0.1508
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.1407	0.0789
Schistosoma mansoni	ap endonuclease	0.0023	0.0671	0.2331
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0427	0.0389
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0427	0.2577
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1407	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0427	0.1484
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0671	0.4329
Brugia malayi	beta-lactamase	0.0042	0.1407	0.1508
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0138	0.0386
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.1407	0.0789
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.1407	0.0789
Brugia malayi	MH2 domain containing protein	0.024	0.8838	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0427	0.0389
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0119	0.4296	0.481
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0671	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.1407	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.1407	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.1405	0.9991
Schistosoma mansoni	smad	0.0007	0.0087	0.0302
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0138	0.0479
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1407	0.0789
Schistosoma mansoni	hypothetical protein	0.0038	0.1231	0.4277
Brugia malayi	hypothetical protein	0.0042	0.1405	0.1507
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0218	0.015
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.1407	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0427	0.2577
Echinococcus granulosus	Smad4	0.0016	0.0427	0.2577
Onchocerca volvulus		0.0042	0.1407	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1231	0.1307
Loa Loa (eye worm)	MH2 domain-containing protein	0.024	0.8838	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.2296	1
Mycobacterium ulcerans	lipase LipD	0.0042	0.1407	1
Echinococcus granulosus	cpg binding protein	0.0037	0.1198	0.842
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0427	0.1484
Schistosoma mansoni	cpg binding protein	0.0035	0.1123	0.3904
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0427	0.1484
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0671	0.5
Schistosoma mansoni	smad	0.0016	0.0427	0.1484
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.1407	0.0789
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0138	0.0386
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0038	0.1231	0.8668
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.1123	0.1184
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0119	0.4296	0.481
Entamoeba histolytica	hypothetical protein	0.0042	0.1405	1
Schistosoma mansoni	hypothetical protein	0.0038	0.1231	0.4277
Schistosoma mansoni	Smad4	0.0007	0.0087	0.0302
Mycobacterium ulcerans	hypothetical protein	0.0042	0.1407	1
Echinococcus multilocularis	cpg binding protein	0.0037	0.1198	0.842
Brugia malayi	MH2 domain containing protein	0.0016	0.0427	0.0389
Leishmania major	hypothetical protein, conserved	0.0042	0.1407	1
Schistosoma mansoni	hypothetical protein	0.0042	0.1405	0.4884
Brugia malayi	MH1 domain containing protein	0.0009	0.0152	0.0075
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0671	0.4329
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.1405	0.9991
Echinococcus granulosus	smad	0.0016	0.0427	0.2577
Onchocerca volvulus		0.0042	0.1407	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0671	0.4424
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0671	0.0667
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.1407	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0427	0.0389
Brugia malayi	latrophilin 2 splice variant baaae	0.0081	0.2877	0.3189
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1407	0.1508
Echinococcus granulosus	GPCR family 2	0.0038	0.1231	0.8668
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0212	0.0144
Loa Loa (eye worm)	beta-lactamase	0.0042	0.1407	0.1508
Brugia malayi	Latrophilin receptor protein 2	0.0038	0.1231	0.1307
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1407	0.1508
Loa Loa (eye worm)	nuclear factor I	0.0009	0.0152	0.0075
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0218	0.0992
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1407	0.0789
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0427	0.2577
Brugia malayi	beta-lactamase family protein	0.0042	0.1407	0.1508
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0138	0.0386
Brugia malayi	Smad1	0.0016	0.0427	0.0389
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0671	0.0667
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0038	0.1231	0.8668
Schistosoma mansoni	hypothetical protein	0.0038	0.1231	0.4277
Brugia malayi	beta-lactamase family protein	0.0042	0.1407	0.1508
Schistosoma mansoni	hypothetical protein	0.0038	0.1231	0.4277
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1407	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0038	0.1231	0.1307
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0038	0.1231	0.8668
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1407	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0427	0.1484
Schistosoma mansoni	ap endonuclease	0.0023	0.0671	0.2331

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference

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: CHEMBL1874692

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 1184971