TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.403 | Formula: C20H23NO
H donors: 1 H acceptors: 0 LogP: 4.37 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc2c(cc1C)N[C@H]([C@H]1[C@@H]2OCCC1)c1ccccc1
InChi: 1S/C20H23NO/c1-13-11-17-18(12-14(13)2)21-19(15-7-4-3-5-8-15)16-9-6-10-22-20(16)17/h3-5,7-8,11-12,16,19-21H,6,9-10H2,1-2H3/t16-,19-,20-/m0/s1
InChiKey: VTPKJNUESARTJM-VDGAXYAQSA-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
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
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
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
Toxoplasma gondii	kinesin motor domain-containing protein	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
Echinococcus multilocularis	kinesin family 1	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
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	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
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
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

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 multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0728	0.0728
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.062	0.074
Loa Loa (eye worm)	MH2 domain-containing protein	0.0364	0.4354	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0398	0.0315
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0511	0.0511
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0202	0.0202
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0583	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0398	0.0476
Entamoeba histolytica	hypothetical protein	0.0072	0.0728	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0728	0.0715
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.2188	0.2188
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0398	0.0315
Echinococcus multilocularis	microtubule associated protein 2	0.0688	0.8374	0.8374
Loa Loa (eye worm)	hypothetical protein	0.0064	0.062	0.1423
Schistosoma mansoni	microtubule-associated protein tau	0.0688	0.8374	1
Echinococcus granulosus	geminin	0.0335	0.399	0.4764
Loa Loa (eye worm)	transcription factor SMAD2	0.0364	0.4354	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0511	0.0511
Schistosoma mansoni	lamin	0.0028	0.0182	0.0052
Brugia malayi	MH1 domain containing protein	0.0025	0.0139	0.0316
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0182	0.0417
Schistosoma mansoni	hypothetical protein	0.0335	0.399	0.4676
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0202	0.0077
Schistosoma mansoni	hypothetical protein	0.0215	0.2506	0.2875
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0583	0.5
Schistosoma mansoni	hypothetical protein	0.0137	0.1535	0.1696
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.023	0.0526
Brugia malayi	MH2 domain containing protein	0.0025	0.0139	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0175	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2324	0.5339
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0398	0.0913
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0139	0.0166
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0429	0.0429
Echinococcus granulosus	GPCR family 2	0.0064	0.062	0.074
Loa Loa (eye worm)	Smad1	0.0025	0.0139	0.0319
Schistosoma mansoni	hypothetical protein	0.0335	0.399	0.4676
Entamoeba histolytica	hypothetical protein	0.0072	0.0728	1
Brugia malayi	Pre-SET motif family protein	0.0209	0.2421	0.556
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0511	0.0611
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0511	0.1173
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.2188	0.2612
Echinococcus multilocularis	GPCR, family 2	0.0064	0.062	0.062
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0201	0.2324	0.5338
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.062	0.1421
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0583	0.0583
Echinococcus granulosus	microtubule associated protein 2	0.0688	0.8374	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0511	0.0453
Schistosoma mansoni	hypothetical protein	0.0064	0.062	0.0584
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.062	0.062
Loa Loa (eye worm)	nuclear factor I	0.0014	0.0001	0.0002
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0201	0.2324	0.5338
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0201	0.2324	0.5339
Echinococcus granulosus	smad	0.0025	0.0139	0.0166
Brugia malayi	MH2 domain containing protein	0.0025	0.0139	0.0316
Brugia malayi	MH2 domain containing protein	0.0364	0.4354	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0139	0.0139
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0182	0.0415
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0511	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0511	0.1175
Loa Loa (eye worm)	MBCTL1	0.0055	0.0511	0.1175
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0583	0.054
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0429	0.0985
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0429	0.0512
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0182	0.0417
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0139	0.0319
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0202	0.0241
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0182	0.0052
Entamoeba histolytica	hypothetical protein	0.0072	0.0728	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.0182	0.0217
Echinococcus granulosus	lamin dm0	0.0028	0.0182	0.0217
Brugia malayi	hypothetical protein	0.0072	0.0728	0.167
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0398	0.0398
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.062	0.074
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.023	0.0528
Brugia malayi	mbt repeat family protein	0.0048	0.0429	0.0983
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.023	0.0731
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.062	0.1423
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0429	0.0352
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0139	0.0166
Brugia malayi	MH1 domain containing protein	0.0025	0.0139	0.0316
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0202	0.0077
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0019	0.0043
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0429	0.0352
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0583	0.5
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0429	0.0429
Echinococcus multilocularis	smad	0.0025	0.0139	0.0139
Onchocerca volvulus		0.0237	0.2779	1
Schistosoma mansoni	hypothetical protein	0.0064	0.062	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0182	0.0417
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0188	0.0225
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0728	0.0869
Brugia malayi	Pre-SET motif family protein	0.003	0.0202	0.0462
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.2421	0.5561
Echinococcus multilocularis	geminin	0.0335	0.399	0.399
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0202	0.0202
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0583	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0398	0.0476
Entamoeba histolytica	hypothetical protein	0.0072	0.0728	1
Onchocerca volvulus		0.003	0.0202	0.0078
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0139	0.0319
Schistosoma mansoni	hypothetical protein	0.0064	0.062	0.0584
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0429	0.0352
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0583	0.054
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0429	0.0985
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.062	0.1421
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0019	0.0041
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0202	0.0077
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.0429	0.0951
Schistosoma mansoni	kinesin eg-5	0.0032	0.023	0.0111
Echinococcus granulosus	lamin	0.0028	0.0182	0.0217
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0202	0.0077
Schistosoma mansoni	hypothetical protein	0.0293	0.3467	0.4041
Echinococcus granulosus	Smad4	0.0025	0.0139	0.0166
Schistosoma mansoni	lamin	0.0028	0.0182	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0001	0.0002
Brugia malayi	intermediate filament protein	0.0028	0.0182	0.0415
Schistosoma mansoni	hypothetical protein	0.0064	0.062	0.0584
Echinococcus multilocularis	Smad4	0.0025	0.0139	0.0139
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0583	0.0697
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0398	0.0315
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0429	0.0512
Brugia malayi	latrophilin 2 splice variant baaae	0.0137	0.1535	0.3525
Echinococcus multilocularis	musashi	0.0028	0.0182	0.0182
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0398	0.0398
Brugia malayi	Smad1	0.0025	0.0139	0.0316
Echinococcus granulosus	kinesin family 1	0.0247	0.2906	0.347
Plasmodium vivax	kinesin-5	0.0032	0.023	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.062	0.062
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0728	0.0715
Echinococcus multilocularis	lamin	0.0028	0.0182	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1535	0.3526
Giardia lamblia	Kinesin-5	0.0032	0.023	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.2779	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.003	0.0202	0.0464
Onchocerca volvulus		0.0048	0.0429	0.0951
Echinococcus multilocularis	kinesin family 1	0.0247	0.2906	0.2906
Plasmodium falciparum	kinesin-5	0.0032	0.023	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0398	0.0915
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0583	0.5
Echinococcus multilocularis	lamin dm0	0.0028	0.0182	0.0182
Brugia malayi	mbt repeat family protein	0.0048	0.0429	0.0983
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0583	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1250 nM	Inhibition of ATPase activity of human recombinant EG5 assessed as ATP hydrolysis by pyruvate kinase-lactate dehydrogenase coupled assay	ChEMBL.	20149654
IC50 (functional)	= 1500 nM	Antiproliferative activity against human HCT116 cells after 48 hrs by crystal violet staining assay	ChEMBL.	20149654

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20149654

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: CHEMBL1078573

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 1103579