TDR Targets

Basic information

Technical information

TDR Targets ID: 455854
Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trime thylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]a mino]-3-hydroxybenzoic acid
MW: 435.555 | Formula: C27H33NO4
H donors: 3 H acceptors: 4 LogP: 6.96 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=C\C=C/C(=CC(=O)Nc1c(O)cccc1C(=O)O)C)/C=C\C1=C(C)CCCC1(C)C
InChi: 1S/C27H33NO4/c1-18(14-15-22-20(3)11-8-16-27(22,4)5)9-6-10-19(2)17-24(30)28-25-21(26(31)32)12-7-13-23(25)29/h6-7,9-10,12-15,17,29H,8,11,16H2,1-5H3,(H,28,30)(H,31,32)/b10-6+,15-14+,18-9+,19-17+
InChiKey: ROLDNFRHACKLJA-MXCVQEFNSA-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

2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-hydroxy-benzoic acid
2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-3-hydroxybenzoic acid
2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]amino]-3-hydroxybenzoic acid
2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]amino]-3-hydroxy-benzoic acid

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	0.0012	0.0339	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0075	0.4435	1
Schistosoma mansoni	tar DNA-binding protein	0.0075	0.4435	1
Trichomonas vaginalis	esterase, putative	0.0014	0.0477	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0018	0.075	0.0535
Brugia malayi	hypothetical protein	0.0012	0.0339	0.0339
Brugia malayi	Pax transcription activation domain interacting protein	0.0012	0.0339	0.0339
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0477	1
Loa Loa (eye worm)	beta-lactamase	0.0014	0.0477	0.0256
Trichomonas vaginalis	D-aminoacylase, putative	0.0014	0.0477	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0477	0.0256
Plasmodium vivax	replication factor C subunit 1, putative	0.0012	0.0339	0.448
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0029	0.1441	0.2006
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0088	0.5283	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0339	0.0115
Echinococcus granulosus	muscleblind protein	0.0161	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0339	0.0115
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0014	0.0477	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0161	1	1
Brugia malayi	DKFZp564C0469 protein	0.0012	0.0339	0.0339
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0018	0.075	0.0425
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0029	0.1441	0.1141
Treponema pallidum	DNA ligase (lig)	0.0012	0.0339	0.5
Loa Loa (eye worm)	hypothetical protein	0.0161	1	1
Toxoplasma gondii	ABC1 family protein	0.0014	0.0477	0.206
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0014	0.0477	0.0337
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0014	0.0477	0.0143
Entamoeba histolytica	hypothetical protein	0.0012	0.0339	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0075	0.4435	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0029	0.1441	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0477	0.0256
Chlamydia trachomatis	DNA ligase	0.0012	0.0339	0.5
Giardia lamblia	Replication factor C, subunit 1	0.0012	0.0339	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0029	0.1441	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0029	0.1441	0.1141
Mycobacterium leprae	conserved hypothetical protein	0.0014	0.0477	1
Plasmodium falciparum	replication factor C subunit 1, putative	0.0012	0.0339	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0339	0.0115
Mycobacterium ulcerans	esterase/lipase LipP	0.0014	0.0477	0.1253
Echinococcus granulosus	tar DNA binding protein	0.0075	0.4435	0.4239
Trypanosoma cruzi	FHA domain containing protein, putative	0.0012	0.0339	0.448
Brugia malayi	topoisomerase	0.0012	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0477	0.0256
Schistosoma mansoni	tar DNA-binding protein	0.0075	0.4435	1
Onchocerca volvulus		0.0014	0.0477	1
Brugia malayi	RNA binding protein	0.0075	0.4435	0.4435
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0029	0.1441	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0029	0.1441	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0018	0.075	0.1003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0018	0.075	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0339	0.0115
Echinococcus multilocularis	tar DNA binding protein	0.0075	0.4435	0.4239
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0477	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0012	0.0339	0.0923
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0018	0.075	0.0425
Onchocerca volvulus		0.0014	0.0477	1
Brugia malayi	beta-lactamase	0.0014	0.0477	0.0477
Mycobacterium ulcerans	lipase LipD	0.0014	0.0477	0.1253
Brugia malayi	beta-lactamase family protein	0.0014	0.0477	0.0477
Brugia malayi	TAR-binding protein	0.0075	0.4435	0.4435
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0014	0.0477	0.1253
Brugia malayi	beta-lactamase family protein	0.0014	0.0477	0.0477
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0477	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0075	0.4435	0.4306
Trichomonas vaginalis	penicillin-binding protein, putative	0.0014	0.0477	1
Echinococcus multilocularis	muscleblind protein	0.0161	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0075	0.4435	0.4306
Mycobacterium ulcerans	hypothetical protein	0.0014	0.0477	0.1253
Trichomonas vaginalis	D-aminoacylase, putative	0.0014	0.0477	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0014	0.0477	0.0143
Trypanosoma brucei	hypothetical protein, conserved	0.0014	0.0477	1
Brugia malayi	RNA recognition motif domain containing protein	0.0075	0.4435	0.4435
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0018	0.075	0.075
Brugia malayi	hypothetical protein	0.0012	0.0339	0.0339
Leishmania major	hypothetical protein, conserved	0.0014	0.0477	0.206
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0018	0.075	0.0425
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0014	0.0477	0.0337
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0012	0.0339	0.448
Schistosoma mansoni	aldehyde dehydrogenase	0.0029	0.1441	0.2691
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0477	0.0256
Trichomonas vaginalis	penicillin-binding protein, putative	0.0014	0.0477	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0018	0.075	0.0425
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0012	0.0339	0.5
Loa Loa (eye worm)	RNA binding protein	0.0075	0.4435	0.4306
Toxoplasma gondii	ATPase, AAA family protein	0.0012	0.0339	0.0923
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0018	0.075	0.1003
Mycobacterium ulcerans	beta-lactamase	0.0014	0.0477	0.1253
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0012	0.0339	0.448
Onchocerca volvulus		0.0014	0.0477	1
Echinococcus multilocularis	muscleblind protein 1	0.0161	1	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0012	0.0339	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0339	0.448
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0014	0.0477	0.0477
Brugia malayi	hypothetical protein	0.001	0.0227	0.0227
Schistosoma mansoni	aldehyde dehydrogenase	0.0029	0.1441	0.2691
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0339	0.0115
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0339	0.448
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0477	0.0256
Schistosoma mansoni	tar DNA-binding protein	0.0075	0.4435	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0029	0.1441	1
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0012	0.0339	0.0339
Trichomonas vaginalis	D-aminoacylase, putative	0.0014	0.0477	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0477	0.0256
Mycobacterium leprae	Probable lipase LipE	0.0014	0.0477	1

Activities

No activities found for this compound.

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: 510762
PubChem: 10203341

Bibliographic References

No literature references available for this target.

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Detailed information for compound 455854