TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.552 | Formula: C31H27NO2
H donors: 0 H acceptors: 1 LogP: 6.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)c1ccc2c(c1)C1CC2CCN1C(=O)c1ccc(cc1)c1ccccc1
InChi: 1S/C31H27NO2/c1-34-27-9-5-8-24(18-27)25-14-15-28-26-16-17-32(30(20-26)29(28)19-25)31(33)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-15,18-19,26,30H,16-17,20H2,1H3
InChiKey: MMYVUTYVMITJKH-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0489	0.0489
Trichomonas vaginalis	cyclin A, putative	0.0063	0.0545	0.0419
Trichomonas vaginalis	cyclin B, putative	0.0063	0.0545	0.0419
Trypanosoma brucei	cdc2-related kinase 3	0.009	0.1101	0.0588
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.009	0.1101	0.1101
Trichomonas vaginalis	CMGC family protein kinase	0.0518	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.009	0.1101	0.1017
Echinococcus granulosus	mitogen activated protein kinase 3	0.0518	1	1
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.009	0.1101	0.0588
Trichomonas vaginalis	CMGC family protein kinase	0.0518	1	1
Trichomonas vaginalis	cyclin B, putative	0.0063	0.0545	0.0419
Giardia lamblia	Kinase, CMGC CDK	0.009	0.1101	0.0588
Brugia malayi	Protein kinase domain containing protein	0.009	0.1101	0.1017
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.009	0.1101	0.0588
Loa Loa (eye worm)	hypothetical protein	0.006	0.0489	0.0489
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0063	0.0545	0.0456
Trypanosoma cruzi	cdc2-related kinase 1	0.009	0.1101	0.0588
Onchocerca volvulus		0.0063	0.0545	0.5
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0985	0.0985
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0518	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0518	1	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.009	0.1101	0.1101
Echinococcus granulosus	cyclin dependent kinase 1	0.009	0.1101	0.0588
Brugia malayi	cell division control protein 2 homolog	0.009	0.1101	0.1017
Trichomonas vaginalis	cyclins, putative	0.0063	0.0545	0.0419
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0518	1	1
Trypanosoma cruzi	cdc2-related kinase 3	0.009	0.1101	0.0588
Echinococcus multilocularis	cyclin dependent kinase 5	0.009	0.1101	0.0588
Echinococcus multilocularis	cyclin dependent kinase 1	0.009	0.1101	0.0588
Trypanosoma brucei	protein kinase, putative	0.0518	1	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0518	1	1
Trichomonas vaginalis	cyclins, putative	0.0063	0.0545	0.0419
Echinococcus granulosus	cyclin dependent kinase	0.009	0.1101	0.0588
Trichomonas vaginalis	cyclins, putative	0.0063	0.0545	0.0419
Plasmodium vivax	protein kinase Crk2	0.009	0.1101	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.009	0.1101	0.1017
Trichomonas vaginalis	CMGC family protein kinase	0.0518	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0093	0.0093
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0518	1	1
Schistosoma mansoni	cyclin B	0.0063	0.0545	0.0456
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0518	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.0518	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.009	0.1101	0.0588
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0518	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.009	0.1101	0.0983
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.009	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0545	0.0545
Entamoeba histolytica	cell division protein kinase 2, putative	0.009	0.1101	1
Schistosoma mansoni	serine/threonine protein kinase	0.0518	1	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0518	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0489	0.04
Trichomonas vaginalis	cyclin B, putative	0.0063	0.0545	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0545	0.0545
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0489	0.04
Trichomonas vaginalis	cyclins, putative	0.0063	0.0545	0.0419
Trypanosoma cruzi	cdc2-related kinase 3	0.009	0.1101	0.0588
Echinococcus multilocularis	mitogen activated protein kinase	0.0518	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0518	1	1
Trypanosoma cruzi	cdc2-related kinase 1	0.009	0.1101	0.0588
Entamoeba histolytica	cell division protein kinase 2, putative	0.009	0.1101	1
Trichomonas vaginalis	CMGC family protein kinase	0.009	0.1101	0.0983
Echinococcus granulosus	cyclin dependent kinase 5	0.009	0.1101	0.0588
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0063	0.0545	0.0456
Trypanosoma brucei	cdc2-related kinase 1	0.009	0.1101	0.0588
Trichomonas vaginalis	cyclin B, putative	0.0063	0.0545	0.0419
Giardia lamblia	Kinase, CMGC CDK	0.009	0.1101	0.0588
Echinococcus multilocularis	cyclin dependent kinase	0.009	0.1101	0.0588
Giardia lamblia	Kinase, CMGC MAPK	0.0518	1	1
Plasmodium falciparum	protein kinase 5	0.009	0.1101	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.009	0.1101	0.0983
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.009	0.1101	0.0588
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0518	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0518	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	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: CHEMBL2138623

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 1703594