TDR Targets

Basic information

Technical information

TDR Targets ID: 821309
Name: 2-amino-4-(3-hydroxyphenyl)-6,7,8,9-tetrahydr o-5H-cyclohepta[e]pyridine-3-carbonitrile
MW: 279.336 | Formula: C17H17N3O
H donors: 2 H acceptors: 3 LogP: 3.82 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(N)nc2c(c1c1cccc(c1)O)CCCCC2
InChi: 1S/C17H17N3O/c18-10-14-16(11-5-4-6-12(21)9-11)13-7-2-1-3-8-15(13)20-17(14)19/h4-6,9,21H,1-3,7-8H2,(H2,19,20)
InChiKey: GKBIFXIJBPRRHY-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

BIM-0015739.P001
CBMicro_015817
Oprea1_321332

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
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0057	0.0202	0.1945
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0057	0.0202	0.0748
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.0467	0.1823
Brugia malayi	photoreceptor-specific nuclear receptor	0.0057	0.0202	0.0748
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0286	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0057	0.0202	0.0748
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0057	0.0202	0.0355
Onchocerca volvulus		0.0057	0.0202	0.074
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0057	0.0202	0.0748
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0098	0.0315
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0093	0.0791
Echinococcus granulosus	FTZ F1 alpha	0.0057	0.0202	0.1945
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0098	0.3419
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0412	0.1598
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0078	0.2714
Schistosoma mansoni	patched 1	0.0041	0.0093	0.0075
Loa Loa (eye worm)	ShTK domain-containing protein	0.0387	0.2481	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0078	0.0242
Echinococcus multilocularis	protein patched	0.0041	0.0093	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0057	0.0202	0.0355
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0057	0.0202	0.074
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0057	0.0202	0.0748
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0057	0.0202	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.0748	0.1407
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0057	0.0202	0.0748
Schistosoma mansoni	chromobox protein	0.0069	0.0286	0.0268
Schistosoma mansoni	hypothetical protein	0.0167	0.0965	0.0949
Echinococcus multilocularis	FTZ F1 alpha	0.0057	0.0202	0.0355
Schistosoma mansoni	tyrosinase precursor	0.1479	1	1
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0286	0.0516
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0057	0.0202	0.0748
Echinococcus granulosus	geminin	0.0167	0.0965	1
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0286	0.0516
Echinococcus multilocularis	geminin	0.0167	0.0965	0.1825
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0057	0.0202	0.0748
Schistosoma mansoni	hypothetical protein	0.0167	0.0965	0.0949
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0057	0.0202	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Schistosoma mansoni	hypothetical protein	0.0039	0.0083	0.0065
Schistosoma mansoni	hypothetical protein	0.0039	0.0083	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0387	0.2481	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.0467	0.474
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0387	0.2481	1
Onchocerca volvulus	Bile acid receptor homolog	0.0057	0.0202	0.074
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0477	0.046
Brugia malayi	Steroid receptor seven-up type 2	0.0057	0.0202	0.0748
Loa Loa (eye worm)	hypothetical protein	0.005	0.0156	0.0561
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0093	0.3251
Loa Loa (eye worm)	hypothetical protein	0.0387	0.2481	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0783	0.5208	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0057	0.0202	0.0355
Brugia malayi	Common central domain of tyrosinase family protein	0.0387	0.2481	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0057	0.0202	0.1945
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0133	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0078	0.2714
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0057	0.0202	0.0185
Loa Loa (eye worm)	tyrosinase 1	0.0387	0.2481	1
Onchocerca volvulus		0.0387	0.2481	1
Brugia malayi	hypothetical protein	0.0087	0.0412	0.1598
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0387	0.2481	1
Schistosoma mansoni	chromobox protein	0.0069	0.0286	0.0268
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0057	0.0202	0.0748
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0057	0.0202	0.0748
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0057	0.0202	0.0355
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0057	0.0202	0.0355
Echinococcus granulosus	expressed conserved protein	0.0089	0.0427	0.4321
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0057	0.0202	0.0748
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0731	0.4844	0.4835
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.0748	0.7709
Schistosoma mansoni	eyes absent homolog	0.0087	0.0412	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0057	0.0202	0.0748
Brugia malayi	Heterochromatin protein 1	0.0069	0.0286	0.1088
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0057	0.0202	0.1945
Onchocerca volvulus	Protein ultraspiracle homolog	0.0057	0.0202	0.074
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0057	0.0202	0.0748
Schistosoma mansoni	coup transcription factor	0.0057	0.0202	0.0185
Echinococcus multilocularis	expressed conserved protein	0.0089	0.0427	0.0788
Schistosoma mansoni	nuclear hormone receptor	0.0057	0.0202	0.0185
Onchocerca volvulus		0.0387	0.2481	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0467	0.1823
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0057	0.0202	0.0185
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0093	0.0144
Brugia malayi	nuclear receptor NHR-88	0.0057	0.0202	0.0748
Brugia malayi	Nuclear hormone receptor-like 1	0.0057	0.0202	0.0748
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0057	0.0202	0.0748
Onchocerca volvulus		0.0387	0.2481	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0057	0.0202	0.0355
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0057	0.0202	0.0748
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0057	0.0202	0.0185
Onchocerca volvulus		0.0387	0.2481	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0304
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0286	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0057	0.0202	0.0748
Schistosoma mansoni	thyroid hormone receptor	0.0057	0.0202	0.0185
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0387	0.2481	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0093	0.0304
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0057	0.0202	0.0748
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0098	0.3419
Brugia malayi	CHE-14 protein	0.0041	0.0093	0.0304
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0286	0.1088
Echinococcus granulosus	ecdysone induced protein 78C	0.0057	0.0202	0.1945
Schistosoma mansoni	thyroid hormone receptor	0.0057	0.0202	0.0185
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0057	0.0202	0.0748
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0057	0.0202	0.0185
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.0467	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Echinococcus granulosus	chromobox protein 1	0.0069	0.0286	0.2829
Loa Loa (eye worm)	hypothetical protein	0.003	0.002	0.0008
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0057	0.0202	0.1945
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0057	0.0202	0.0185
Brugia malayi	nuclear hormone receptor	0.0057	0.0202	0.0748
Brugia malayi	ShTK domain containing protein	0.0387	0.2481	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0057	0.0202	0.0185
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0057	0.0202	0.1945
Loa Loa (eye worm)	ShTK domain-containing protein	0.0387	0.2481	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0057	0.0202	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0412	0.1598
Schistosoma mansoni	RAR-like nuclear receptor	0.0057	0.0202	0.0185
Schistosoma mansoni	hypothetical protein	0.0039	0.0083	0.0065
Brugia malayi	ecdysteroid receptor	0.0057	0.0202	0.0748
Echinococcus multilocularis	ecdysone induced protein 78C	0.0057	0.0202	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Loa Loa (eye worm)	steroid hormone receptor	0.0057	0.0202	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0057	0.0202	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0057	0.0202	0.0185
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0078	0.0233
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0387	0.2481	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0057	0.0202	0.1945
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.0467	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0057	0.0202	0.0748
Echinococcus granulosus	chromobox protein 1	0.0069	0.0286	0.2829
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.0748
Schistosoma mansoni	hypothetical protein	0.0039	0.0083	0.0065
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0093	0.0791
Brugia malayi	steroid hormone receptor	0.0057	0.0202	0.0748
Brugia malayi	chromobox protein homolog 3	0.0039	0.0078	0.0242
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0057	0.0202	0.1945

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

Search by Saint Jude

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 821309