TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.603 | Formula: C27H38N2O2
H donors: 2 H acceptors: 1 LogP: 5.1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(ccc1N[C@H]2c1ccccc1)C(C)(C)C)CC
InChi: 1S/C27H38N2O2/c1-5-29(15-16-30)18-21-12-13-22-25(19-9-7-6-8-10-19)28-24-14-11-20(27(2,3)4)17-23(24)26(22)31-21/h6-11,14,17,21-22,25-26,28,30H,5,12-13,15-16,18H2,1-4H3/t21-,22+,25+,26+/m1/s1
InChiKey: ZPKHWMSZZOQAOU-HRHCJDDBSA-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
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
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
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
Brugia malayi	Kinesin motor domain containing 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
Toxoplasma gondii	kinesin motor domain-containing 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
Neospora caninum	hypothetical 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

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	histone acetyltransferase KAT2B	0.0044	0.0327	0.0529
Loa Loa (eye worm)	RNA binding protein	0.0072	0.0663	0.2384
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0035
Schistosoma mansoni	apoferritin-2	0.0029	0.0148	0.0239
Brugia malayi	beta-lactamase family protein	0.0037	0.0246	0.0886
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0246	0.5514
Loa Loa (eye worm)	hypothetical protein	0.0056	0.047	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0246	0.0886
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0021	0.0035
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0246	0.5514
Schistosoma mansoni	hypothetical protein	0.0051	0.0415	0.0672
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.0191	0.0686
Echinococcus granulosus	intermediate filament protein	0.0057	0.0482	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0052	0.043	0.1547
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0035
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0235	0.2605	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0246	0.5514
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0246	1
Onchocerca volvulus		0.0057	0.0482	0.1944
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0122	0.0437
Brugia malayi	hypothetical protein	0.0139	0.1461	0.5253
Toxoplasma gondii	ABC1 family protein	0.0037	0.0246	0.7539
Echinococcus granulosus	survival motor neuron protein 1	0.025	0.2781	0.4501
Mycobacterium ulcerans	lipase LipD	0.0037	0.0246	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0246	1
Loa Loa (eye worm)	fli-1 protein	0.0224	0.247	0.8885
Plasmodium vivax	kinesin-5	0.0032	0.0191	0.583
Schistosoma mansoni	lamin	0.0057	0.0482	0.0781
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0246	0.0886
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0246	0.5514
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0365	0.0365
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0074	0.0685	0.2465
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.017	0.061
Brugia malayi	RNA binding protein	0.0072	0.0663	0.2384
Echinococcus multilocularis	lamin dm0	0.0057	0.0482	0.0482
Onchocerca volvulus		0.0052	0.043	0.1514
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.0663	0.2384
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.043	0.0697
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0246	0.0886
Plasmodium falciparum	kinesin-5	0.0032	0.0191	0.6717
Schistosoma mansoni	ferritin	0.0029	0.0148	0.0239
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0327	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0365	0.1312
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0246	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0021	0.0035
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0246	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0246	0.0946
Treponema pallidum	bacterioferrin (TpF1)	0.0029	0.0148	0.5
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0246	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0246	0.0399
Echinococcus granulosus	kinesin family 1	0.0247	0.2748	0.4449
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0663	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0246	0.0886
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0246	0.0886
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0246	1
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.017	0.061
Schistosoma mansoni	apoferritin-2	0.0029	0.0148	0.0239
Onchocerca volvulus	Huntingtin homolog	0.0139	0.1461	1
Schistosoma mansoni	kinesin eg-5	0.0032	0.0191	0.0309
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0365	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0482	0.1735
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0365	0.1312
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0365	0.0591
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0246	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0021	0.0077
Brugia malayi	beta-lactamase	0.0037	0.0246	0.0886
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0237	0.2625	0.9439
Echinococcus granulosus	tar DNA binding protein	0.0072	0.0663	0.1073
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0284	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0134	0.0217
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0246	0.7539
Echinococcus multilocularis	GA binding protein alpha chain	0.0074	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0268	0.0965
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0246	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1461	0.5253
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0268	0.0965
Brugia malayi	follicle stimulating hormone receptor	0.0237	0.2625	0.9439
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0284	1
Echinococcus multilocularis	kinesin family 1	0.0247	0.2748	0.2748
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0327	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0365	0.0591
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0035
Echinococcus granulosus	lamin	0.0057	0.0482	0.0781
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.0191	0.583
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0246	0.0886
Schistosoma mansoni	hypothetical protein	0.0018	0.0021	0.0035
Onchocerca volvulus		0.0051	0.0415	0.1387
Echinococcus granulosus	lamin dm0	0.0057	0.0482	0.0781
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.0191	0.0686
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0021	0.0077
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0021	0.0021
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0327	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0663	0.1073
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.0663	0.2384
Echinococcus multilocularis	tumor protein p63	0.0358	0.4055	0.4055
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0057	0.0482	0.1735
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0246	0.0886
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0365	0.0591
Brugia malayi	Ets-domain containing protein	0.0074	0.0685	0.2465
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0134	0.0134
Schistosoma mansoni	ferritin light chain	0.0029	0.0148	0.0239
Onchocerca volvulus		0.0057	0.0482	0.1944
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0663	0.1073
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.1521	0.2463
Schistosoma mansoni	gabp alpha	0.0074	0.0685	0.111
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0327	1
Schistosoma mansoni	hypothetical protein	0.0536	0.6177	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0481	0.1729
Echinococcus granulosus	geminin	0.0536	0.6177	1
Echinococcus multilocularis	ferritin	0.0029	0.0148	0.0148
Echinococcus multilocularis	geminin	0.0536	0.6177	0.6177
Echinococcus multilocularis	survival motor neuron protein 1	0.025	0.2781	0.2781
Schistosoma mansoni	ferritin light chain	0.0029	0.0148	0.0239
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0246	0.0946
Brugia malayi	hypothetical protein	0.025	0.2781	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0246	0.0886
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0246	0.5514
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0246	0.0946
Schistosoma mansoni	ferritin	0.0029	0.0148	0.0239
Schistosoma mansoni	ets-related	0.0224	0.247	0.3999
Onchocerca volvulus	Huntingtin homolog	0.0139	0.1461	1
Schistosoma mansoni	ferritin	0.0029	0.0148	0.0239
Echinococcus multilocularis	expressed protein	0.0029	0.0148	0.0148
Brugia malayi	intermediate filament protein	0.0057	0.0482	0.1735
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0077
Leishmania major	hypothetical protein, conserved	0.0037	0.0246	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0122	0.0437
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0246	0.0946
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0148	0.1571	0.2543
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0029	0.0148	0.0566
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0327	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0246	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0558	0.2008
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1461	0.5253
Loa Loa (eye worm)	hypothetical protein	0.025	0.2781	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0246	0.0946
Schistosoma mansoni	ferritin	0.0029	0.0148	0.0239
Brugia malayi	Fli-1 protein	0.0224	0.247	0.8885
Brugia malayi	Intermediate filament tail domain containing protein	0.0057	0.0482	0.1735
Echinococcus granulosus	expressed protein	0.0029	0.0148	0.0239
Schistosoma mansoni	hypothetical protein	0.0215	0.2367	0.3831
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.0663	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0134	0.0481
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0148	0.1571	0.1571
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0481	0.1729
Brugia malayi	TAR-binding protein	0.0072	0.0663	0.2384
Schistosoma mansoni	hypothetical protein	0.0536	0.6177	1
Echinococcus granulosus	ferritin	0.0029	0.0148	0.0239
Echinococcus multilocularis	lamin	0.0057	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0246	0.0886
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0663	0.1073
Loa Loa (eye worm)	acetyltransferase	0.0148	0.1571	0.5649
Brugia malayi	acetyltransferase, GNAT family protein	0.0148	0.1571	0.5649
Schistosoma mansoni	lamin	0.0057	0.0482	0.0781
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0663	0.1073
Echinococcus granulosus	tumor protein p63	0.0358	0.4055	0.6565
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0246	1
Trichomonas vaginalis	esterase, putative	0.0037	0.0246	0.5514
Echinococcus granulosus	GPCR family 2	0.0018	0.0021	0.0035
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0246	0.0399
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0029	0.0148	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0057	0.0482	0.1735
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0246	0.0946
Echinococcus multilocularis	musashi	0.0057	0.0482	0.0482
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.0481	0.1729
Schistosoma mansoni	intermediate filament proteins	0.0057	0.0482	0.0781
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0029	0.0148	0.0566
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0246	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0481	0.1729
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0415	0.1492
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0246	0.0946
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0246	0.0246
Brugia malayi	beta-lactamase family protein	0.0037	0.0246	0.0886
Echinococcus granulosus	GA binding protein alpha chain	0.0074	0.0685	0.111
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0246	0.0946
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0365	0.0591
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0021	0.0077
Brugia malayi	Ets-domain containing protein	0.0074	0.0685	0.2465
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0246	0.0946
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.0663	0.2384
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0021	0.0021
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0415	0.0672
Schistosoma mansoni	hypothetical protein	0.0039	0.0268	0.0434

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 19 nM	Inhibition of ATPase activity of human recombinant EG5 assessed as ATP hydrolysis by pyruvate kinase-lactate dehydrogenase coupled assay	ChEMBL.	20149654
IC50 (functional)	= 28 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: CHEMBL1084935

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 1125629