TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 349.426 | Formula: C21H23N3O2
H donors: 2 H acceptors: 2 LogP: 3.15 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1ccc2c(c1)c(=O)c(c([nH]2)c1cccc(c1)O)C
InChi: 1S/C21H23N3O2/c1-14-20(15-4-3-5-17(25)12-15)22-19-7-6-16(13-18(19)21(14)26)24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11H2,1-2H3,(H,22,26)
InChiKey: KJQCLILRMFRZNN-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	kinesin family member 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium berghei	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Brugia malayi	Kinesin motor domain containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus multilocularis	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium parvum	kinesin-like boursin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma japonicum	ko:K10398 kinesin family member 11, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Toxoplasma gondii	kinesin motor domain-containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Neospora caninum	hypothetical protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium knowlesi	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Loa Loa (eye worm)	kinesin-like protein KLP2	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium hominis	kinesin-like boursin	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus granulosus	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_128460	All targets in OG5_128460

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
Schistosoma mansoni	hypothetical protein	0.0004	0.0006	0.0006
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.1066	0.1061
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0303	0.2803
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0074	0.0069
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0074	0.0069
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.011	0.2562	0.8958
Plasmodium falciparum	glutathione reductase	0.0048	0.1066	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0303	0.2803
Mycobacterium tuberculosis	Probable reductase	0.011	0.2562	0.8958
Schistosoma mansoni	glutamate synthase	0.0004	0.0006	0.0006
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0115	0.103
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0074	0.0074
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0303	0.2803
Schistosoma mansoni	kinesin eg-5	0.0032	0.0675	0.0675
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0303	0.0297
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1793
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0017	0.0303	0.2803
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1793
Leishmania major	trypanothione reductase	0.0048	0.1066	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0648	0.0648
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0303	0.2803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0303	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0074	0.0069
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0303	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Onchocerca volvulus		0.0029	0.0608	1
Toxoplasma gondii	thioredoxin reductase	0.0048	0.1066	0.8577
Schistosoma mansoni	glutamate synthase	0.0004	0.0006	0.0006
Plasmodium vivax	glutathione reductase, putative	0.0048	0.1066	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0608	0.0608
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.011	0.2562	0.8958
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.1793
Schistosoma mansoni	glutamate synthase	0.0004	0.0006	0.0006
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.0675	0.6311
Schistosoma mansoni	hypothetical protein	0.0418	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Treponema pallidum	NADH oxidase	0.0017	0.0303	1
Plasmodium falciparum	thioredoxin reductase	0.0048	0.1066	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0648	0.0648
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.1066	1
Brugia malayi	Thioredoxin reductase	0.0048	0.1066	1
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.0675	0.5413
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0303	0.2803
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0303	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0303	0.2803
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0303	0.2803
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0123	0.2859	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1793
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.011	0.2562	0.8958
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0303	1
Schistosoma mansoni	disulfide oxidoreductase	0.0004	0.0006	0.0006
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0303	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0118	0.0112
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.0675	0.6311
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0303	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0303	0.2404
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.1066	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1793
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0123	0.2859	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0303	0.0303
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1403	0.1403
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.1793
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0303	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0118	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Brugia malayi	glutathione reductase	0.0048	0.1066	1
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0303	0.1042
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Plasmodium falciparum	glutathione reductase	0.0017	0.0303	0.2803
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0608	0.5676
Schistosoma mansoni	sulfide quinone reductase	0.0004	0.0006	0.0006
Plasmodium falciparum	kinesin-5	0.0032	0.0675	0.6311
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0196	0.179
Loa Loa (eye worm)	glutathione reductase	0.0048	0.1066	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0303	0.2803
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0608	0.5676
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.011	0.2562	0.8958
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.1066	0.3716
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0118	0.1056
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0074	0.0069
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0303	0.2803
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.1242	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0017	0.0303	0.2803
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0196	0.179
Echinococcus granulosus	cpg binding protein	0.0031	0.0648	0.0643
Schistosoma mansoni	hypothetical protein	0.0215	0.51	0.51
Entamoeba histolytica	kinesin, putative	0.0032	0.0675	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0303	0.2803
Giardia lamblia	Kinesin-5	0.0032	0.0675	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.1066	0.1061
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0303	0.2404
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0303	1
Echinococcus multilocularis	cpg binding protein	0.0031	0.0648	0.0643
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0303	0.2803
Trichomonas vaginalis	helicase, putative	0.0007	0.0059	0.1793
Echinococcus granulosus	kinesin family 1	0.0247	0.5876	0.5874
Plasmodium vivax	kinesin-5	0.0032	0.0675	0.6311
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.1066	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0303	0.2803
Echinococcus multilocularis	kinesin family 1	0.0247	0.5876	0.5874
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0303	0.4442
Mycobacterium tuberculosis	Probable oxidoreductase	0.0123	0.2859	1
Plasmodium falciparum	thioredoxin reductase	0.0017	0.0303	0.2803
Echinococcus multilocularis	dnaJ subfamily B	0.0418	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0303	0.2803
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1793
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0303	0.0297
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.1793
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0123	0.2859	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.011	0.2562	0.8958
Schistosoma mansoni	sulfide quinone reductase	0.0004	0.0006	0.0006
Trypanosoma brucei	trypanothione reductase	0.0048	0.1066	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.011	0.2562	0.8958
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0059	0.1793

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.334 uM	Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis	ChEMBL.	21856161
IC50 (functional)	> 10 uM	Cytotoxicity against human A549 cells after 48 hrs by SRB assay	ChEMBL.	21856161
IC50 (functional)	> 10 uM	Cytotoxicity against human AGS cells after 48 hrs by SRB assay	ChEMBL.	21856161

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21856161

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: CHEMBL1818675

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1104279