TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.475 | Formula: C27H21N3O
H donors: 2 H acceptors: 1 LogP: 5.95 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1=C(N)OC(=CC1c1c([nH]c2c1cccc2)c1ccccc1)c1ccc(cc1)C
InChi: 1S/C27H21N3O/c1-17-11-13-18(14-12-17)24-15-21(22(16-28)27(29)31-24)25-20-9-5-6-10-23(20)30-26(25)19-7-3-2-4-8-19/h2-15,21,30H,29H2,1H3
InChiKey: UFZVFRMRGRMBJR-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
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Echinococcus multilocularis	cyclin dependent kinase 1	0.0072	0.0103	0.0103
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0266	0.0879	0.0879
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0879	0.0784
Plasmodium falciparum	casein kinase II beta chain	0.0484	0.1747	0.1747
Trypanosoma cruzi	casein kinase II, putative	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Echinococcus granulosus	casein kinase ii subunit beta	0.0484	0.1747	0.1747
Schistosoma mansoni	voltage-gated potassium channel	0.0169	0.0489	0.0489
Entamoeba histolytica	protein kinase domain containing protein	0.0266	0.0879	0.0784
Echinococcus multilocularis	protein kinase shaggy	0.0077	0.0125	0.0125
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0198	0.0606	0.0606
Toxoplasma gondii	ck2 beta subunit	0.0484	0.1747	0.1747
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Echinococcus multilocularis	dual specificity	0.0266	0.0879	0.0879
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0198	0.0606	0.0606
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0484	0.1747	1
Entamoeba histolytica	protein kinase, putative	0.0232	0.0741	0.0645
Echinococcus granulosus	death associated protein kinase 1	0.0695	0.2591	0.2591
Giardia lamblia	Kinase, CMGC GSK	0.0077	0.0125	0.0021
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0072	0.0103	0.0103
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Plasmodium vivax	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0077	0.0125	0.0125
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0484	0.1747	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0077	0.0125	0.0021
Echinococcus multilocularis	death associated protein kinase 1	0.0966	0.3676	0.3676
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0484	0.1747	0.1661
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0144	0.0392	0.0292
Entamoeba histolytica	protein kinase domain containing protein	0.255	1	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0072	0.0103	0.0103
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0072	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0638	0.0638
Entamoeba histolytica	protein kinase domain containing protein	0.0077	0.0125	0.0021
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0484	0.1747	0.1747
Trichomonas vaginalis	CMGC family protein kinase	0.0077	0.0125	0.0021
Plasmodium vivax	unspecified product	0.255	1	1
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0232	0.0741	0.0645
Echinococcus granulosus	casein kinase ii subunit alpha	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Echinococcus granulosus	protein kinase shaggy	0.0077	0.0125	0.0125
Giardia lamblia	Kinase, CMGC GSK	0.0077	0.0125	0.0021
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.0796	0.2994	0.2994
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0484	0.1747	0.1661
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Entamoeba histolytica	protein kinase, putative	0.0077	0.0125	0.0021
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0484	0.1747	0.1661
Schistosoma mansoni	voltage-gated potassium channel	0.0169	0.0489	0.0489
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0232	0.0741	0.0741
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0141	0.038	0.0279
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0154	0.0433	0.0433
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.0796	0.2994	0.2994
Echinococcus multilocularis	dual specificity	0.0266	0.0879	0.0879
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0198	0.0606	0.0606
Echinococcus granulosus	dual specificity	0.0266	0.0879	0.0879
Echinococcus granulosus	dual specificity	0.0266	0.0879	0.0879
Loa Loa (eye worm)	Csnk2b protein	0.0484	0.1747	0.1747
Brugia malayi	cell division control protein 2 homolog	0.0072	0.0103	0.0103
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Entamoeba histolytica	protein kinase, putative	0.0232	0.0741	0.0645
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0077	0.0125	0.0125
Trichomonas vaginalis	CMGC family protein kinase	0.0077	0.0125	0.0021
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0879	0.0784
Schistosoma mansoni	protein kinase	0.255	1	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0072	0.0103	0.0103
Echinococcus multilocularis	dual specificity	0.0232	0.0741	0.0741
Giardia lamblia	Kinase, CMGC CK2	0.255	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0144	0.0392	0.0292
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0072	0.0103	0.0103
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0077	0.0125	0.0125
Echinococcus multilocularis	cyclin dependent kinase	0.0072	0.0103	0.0103
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0072	0.0103	0.0103
Brugia malayi	Csnk2b protein	0.0484	0.1747	0.1747
Echinococcus granulosus	dual specificity	0.0266	0.0879	0.0879
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0154	0.0433	0.0433
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0879	0.0784
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0141	0.038	0.0279
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0198	0.0606	0.297
Plasmodium falciparum	casein kinase 2, alpha subunit	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Echinococcus granulosus	cyclin dependent kinase	0.0072	0.0103	0.0103
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0266	0.0879	0.0784
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0198	0.0606	0.0606
Echinococcus granulosus	cyclin dependent kinase 1	0.0072	0.0103	0.0103
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Echinococcus multilocularis	casein kinase ii subunit alpha	0.255	1	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0077	0.0125	0.0125
Schistosoma mansoni	serine/threonine protein kinase	0.0266	0.0879	0.0879
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0077	0.0125	0.0125
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0077	0.0125	0.0021
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Brugia malayi	casein kinase II, putaitve	0.0141	0.038	0.038
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0232	0.0741	0.0741
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0072	0.0103	0.0103
Entamoeba histolytica	protein kinase domain containing protein	0.0077	0.0125	0.0021
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.0796	0.2994	0.2994
Echinococcus granulosus	cyclin dependent kinase 5	0.0072	0.0103	0.0103
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0266	0.0879	0.0784
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0266	0.0879	0.0879
Plasmodium falciparum	casein kinase II beta chain	0.0484	0.1747	0.1747
Schistosoma mansoni	serine/threonine protein kinase	0.0198	0.0606	0.0606
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.0796	0.2994	0.2994
Toxoplasma gondii	CMGC kinase, CK2 family	0.255	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0879	0.0784
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.255	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0266	0.0879	0.0879
Plasmodium falciparum	glycogen synthase kinase 3	0.0077	0.0125	0.0125
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0103	0.0103
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Brugia malayi	Protein kinase domain containing protein	0.0072	0.0103	0.0103
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Trypanosoma brucei	Casein kinase II	0.255	1	1
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0198	0.0606	0.0606
Plasmodium falciparum	protein kinase 5	0.0072	0.0103	0.0103
Trypanosoma brucei	protein kinase, putative	0.0077	0.0125	0.0021
Entamoeba histolytica	protein kinase domain containing protein	0.0796	0.2994	0.2921
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0077	0.0125	0.0125
Schistosoma mansoni	serine/threonine protein kinase	0.0232	0.0741	0.0741
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0484	0.1747	0.1747
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0154	0.0433	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0351	0.0351
Trichomonas vaginalis	CMGC family protein kinase	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Leishmania major	casein kinase II, putative	0.255	1	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0232	0.0741	0.0645
Echinococcus multilocularis	cyclin dependent kinase 1	0.0072	0.0103	0.0103
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0103	0.0103
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0077	0.0125	0.0125
Giardia lamblia	Casein kinase II beta chain	0.0141	0.038	0.0279
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0484	0.1747	0.1661
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0141	0.038	0.0279
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0072	0.0103	0.0103
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0154	0.0433	0.0433
Echinococcus multilocularis	dual specificity	0.0266	0.0879	0.0879
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Brugia malayi	Protein kinase domain containing protein	0.0198	0.0606	0.0606
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0879	0.0784
Plasmodium vivax	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Giardia lamblia	Casein kinase II beta chain	0.0484	0.1747	0.1661
Echinococcus granulosus	dual specificity	0.0232	0.0741	0.0741
Entamoeba histolytica	casein kinase, putative	0.255	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0141	0.038	0.0279
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0484	0.1747	0.1661
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0232	0.0741	0.0645
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0879	0.0784
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0266	0.0879	0.0879
Loa Loa (eye worm)	casein kinase II	0.0141	0.038	0.038
Schistosoma mansoni	serine/threonine protein kinase	0.0796	0.2994	0.2994
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Entamoeba histolytica	hypothetical protein	0.0232	0.0741	0.0645
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0484	0.1747	0.1661
Echinococcus multilocularis	casein kinase ii subunit beta	0.0484	0.1747	0.1747
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Brugia malayi	intracellular kinase	0.0077	0.0125	0.0125
Entamoeba histolytica	protein kinase, putative	0.0266	0.0879	0.0784
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0484	0.1747	0.1661
Entamoeba histolytica	protein kinase domain containing protein	0.0232	0.0741	0.0645
Brugia malayi	Protein kinase domain containing protein	0.0232	0.0741	0.0741
Schistosoma mansoni	casein kinase II beta subunit	0.0484	0.1747	0.1747
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0141	0.038	0.0279
Giardia lamblia	Kinase, CMGC DYRK	0.0266	0.0879	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0638	0.0638

Activities

Activity type	Activity value	Assay description	Source	Reference
IZ (functional)	= 10 mm	Antimicrobial activity against Escherichia coli MTCC 723 at 500 ug/ml after 24 hrs by cup plate method	ChEMBL.	23454016

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: CHEMBL2349098

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1757288