TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.397 | Formula: C17H23N5O
H donors: 3 H acceptors: 4 LogP: 2.62 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNc1ncc(c(n1)N[C@@H]1C[C@H](C1)O)c1ccccn1
InChi: 1S/C17H23N5O/c1-2-3-7-19-17-20-11-14(15-6-4-5-8-18-15)16(22-17)21-12-9-13(23)10-12/h4-6,8,11-13,23H,2-3,7,9-10H2,1H3,(H2,19,20,21,22)/t12-,13-
InChiKey: ZUKWHYJJSUVIEH-JOCQHMNTSA-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	TYRO3 protein tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	MER proto-oncogene, tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	AXL receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR008957,Fibronectin, type III-like fold,domain-containing	Get druggable targets OG5_132328	All targets in OG5_132328

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
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0383	0.4619	0.4619
Brugia malayi	nuclear receptor RXR	0.0429	0.5195	0.5181
Loa Loa (eye worm)	projectin	0.0017	0.003	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0018	0.0035	0.0035
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0383	0.4619	0.4603
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0383	0.4619	0.4619
Schistosoma mansoni	cell adhesion molecule	0.0021	0.0076	0.0046
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0125	0.0096
Brugia malayi	Nuclear hormone receptor E75	0.0383	0.4619	0.4603
Schistosoma mansoni	neuroglian	0.0021	0.0076	0.0046
Echinococcus multilocularis	titin	0.0017	0.003	0.003
Echinococcus granulosus	nuclear receptor nhr 48	0.0383	0.4619	0.4619
Echinococcus granulosus	thyroid hormone receptor alpha	0.0383	0.4619	0.4619
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0383	0.4619	0.4619
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0429	0.5195	0.5181
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0813	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0813	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0046	0.0045
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0076	0.0076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0813	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0383	0.4619	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Brugia malayi	orphan nuclear receptor NR2E1	0.0383	0.4619	0.4603
Echinococcus granulosus	titin	0.0017	0.003	0.003
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0813	1	1
Schistosoma mansoni	zinc finger protein	0.0383	0.4619	0.4603
Brugia malayi	ecdysone receptor	0.0383	0.4619	0.4603
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0017	0.0031	0.003
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0813	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0383	0.4619	0.4619
Schistosoma mansoni	nuclear receptor	0.0383	0.4619	0.4603
Brugia malayi	conserved hypotetical protein	0.0383	0.4619	0.4603
Schistosoma mansoni	nuclear receptor nhr-48	0.0383	0.4619	0.4603
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0813	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0383	0.4619	0.4603
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.003	0.0029
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.0076	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0813	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0813	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0813	1	1
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0017	0.0031	0.0031
Brugia malayi	Nuclear hormone receptor-like 1	0.0429	0.5195	0.5181
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0383	0.4619	0.4619
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0076	0.0076
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0017	0.0031	0.0031
Brugia malayi	Steroid receptor seven-up type 2	0.0813	1	1
Brugia malayi	Fibronectin type III domain containing protein	0.0025	0.0125	0.0096
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0001	0.0001
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0813	1	1
Brugia malayi	nuclear hormone receptor	0.0813	1	1
Brugia malayi	nuclear receptor RXR	0.0383	0.4619	0.4603
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0017	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0429	0.5195	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0383	0.4619	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Echinococcus granulosus	contactin	0.0021	0.0076	0.0076
Echinococcus multilocularis	transfer RNA-Phe	0.0017	0.003	0.003
Loa Loa (eye worm)	CAMK protein kinase	0.0017	0.003	0.0029
Brugia malayi	hypothetical protein	0.0025	0.0125	0.0096
Echinococcus multilocularis	neuroglian	0.0021	0.0076	0.0076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.0076	0.0046
Schistosoma mansoni	nuclear hormone receptor	0.0813	1	1
Echinococcus granulosus	titin	0.0017	0.003	0.003
Schistosoma mansoni	nuclear hormone receptor	0.0383	0.4619	0.4603
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0813	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0813	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0813	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0813	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0429	0.5195	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0429	0.5195	0.5195
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0429	0.5195	0.5195
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0813	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0383	0.4619	0.4603
Schistosoma mansoni	nuclear receptor	0.0383	0.4619	0.4603
Schistosoma mansoni	cell adhesion molecule	0.0028	0.0171	0.0142
Brugia malayi	hypothetical protein	0.0383	0.4619	0.4603
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0383	0.4619	0.4603
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Echinococcus granulosus	nephrin	0.0017	0.003	0.003
Schistosoma mansoni	ephrin receptor	0.0018	0.0035	0.0005
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0021	0.0076	0.0075
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0813	1	1
Echinococcus granulosus	neuroglian	0.0021	0.0076	0.0076
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0018	0.0035	0.0035
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0813	1	1
Loa Loa (eye worm)	DR-78	0.0383	0.4619	0.4619
Onchocerca volvulus		0.0383	0.4619	0.4603
Brugia malayi	nuclear receptor NHR-67	0.0383	0.4619	0.4603
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0076	0.0075
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0813	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0813	1	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0076	0.0076
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0813	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.0051	0.0022
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0021	0.0076	0.0076
Brugia malayi	steroid hormone receptor	0.0813	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0813	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0429	0.5195	0.5195
Brugia malayi	hypothetical protein	0.0429	0.5195	0.5181
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0383	0.4619	0.4619
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0813	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Echinococcus multilocularis	nuclear receptor nhr 48	0.0383	0.4619	0.4619
Schistosoma mansoni	thyroid hormone receptor	0.0813	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0813	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.0076	0.0046
Echinococcus multilocularis	roundabout 2	0.0021	0.0076	0.0076
Brugia malayi	tailless protein	0.0383	0.4619	0.4603
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0813	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0383	0.4619	0.4619
Brugia malayi	nuclear receptor NHR-88	0.0813	1	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0017	0.003	0.0029
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0017	0.003	0.0029
Echinococcus multilocularis	roundabout 2	0.0032	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0019	0.0051	0.005
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0383	0.4619	0.4603
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0429	0.5195	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Schistosoma mansoni	nephrin	0.0028	0.017	0.0141
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0021	0.0076	0.0075
Brugia malayi	nuclear hormone receptor	0.0383	0.4619	0.4603
Schistosoma mansoni	nephrin	0.0021	0.0076	0.0046
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0383	0.4619	0.4603
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0813	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0429	0.5195	0.5181
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0813	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0383	0.4619	0.4619
Brugia malayi	hypothetical protein	0.0383	0.4619	0.4603
Echinococcus granulosus	FTZ F1 alpha	0.0813	1	1
Onchocerca volvulus		0.0383	0.4619	0.4603
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0429	0.5195	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0125	0.0125
Schistosoma mansoni	cell adhesion molecule	0.0021	0.0076	0.0046
Onchocerca volvulus	Protein ultraspiracle homolog	0.0813	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.003	0.0029
Onchocerca volvulus		0.0813	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0813	1	1
Schistosoma mansoni	coup transcription factor	0.0813	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0813	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0813	1	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.0076	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0125	0.0125
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Echinococcus granulosus	roundabout 2	0.0032	0.0216	0.0216
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0017	0.0031	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0125	0.0125
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0813	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0813	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0383	0.4619	0.4603
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0046	0.0045
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0383	0.4619	0.4619
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Echinococcus granulosus	roundabout 2	0.0021	0.0076	0.0076
Brugia malayi	hypothetical protein	0.0429	0.5195	0.5181
Loa Loa (eye worm)	hypothetical protein	0.0383	0.4619	0.4619
Echinococcus granulosus	roundabout 2	0.0021	0.0076	0.0076
Loa Loa (eye worm)	steroid hormone receptor	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0813	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0813	1	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0021	0.0076	0.0076
Brugia malayi	Nuclear hormone receptor E75	0.0383	0.4619	0.4603
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0813	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0383	0.4619	0.4619
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0429	0.5195	0.5181
Schistosoma mansoni	nuclear hormone receptor	0.0383	0.4619	0.4603
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0813	1	1
Echinococcus multilocularis	roundabout 2	0.0021	0.0076	0.0076
Brugia malayi	nuclear receptor NHR-88	0.0383	0.4619	0.4603
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0017	0.003	0.0029
Echinococcus multilocularis	ecdysone induced protein 78C	0.0813	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0813	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0813	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0813	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0813	1	1
Loa Loa (eye worm)	hypothetical protein	0.0429	0.5195	0.5195
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0017	0.003	0.0029

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 200 nM	Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay	ChEMBL.	24195762
IC50 (binding)	= 1340 nM	Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay	ChEMBL.	24195762
IC50 (binding)	= 2790 nM	Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay	ChEMBL.	24195762

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: CHEMBL3092767

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 1823660