TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.436 | Formula: C20H24FN5O
H donors: 1 H acceptors: 2 LogP: 2.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1c[nH]c2c1cc(cn2)c1nn(c(c1)C1CCN(C1)C1COC1)C(C)C
InChi: 1S/C20H24FN5O/c1-12(2)26-19(13-3-4-25(9-13)15-10-27-11-15)6-18(24-26)14-5-16-17(21)8-23-20(16)22-7-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,23)
InChiKey: GEXWJSDYWQNHLQ-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	delta-like 1 homolog (Drosophila)	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase kinase 12	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131367	All targets in OG5_131367
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131367	All targets in OG5_131367
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_131367	All targets in OG5_131367
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131367	All targets in OG5_131367
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_131367	All targets in OG5_131367
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_131367	All targets in OG5_131367
Schistosoma japonicum	Mitogen-activated protein kinase kinase kinase 12, putative	Get druggable targets OG5_131367	All targets in OG5_131367
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	Get druggable targets OG5_131367	All targets in OG5_131367
Schistosoma japonicum	ko:K04422 mitogen-activated protein kinase kinase kinase 13, putative	Get druggable targets OG5_131367	All targets in OG5_131367

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Calcium binding EGF domain containing protein	delta-like 1 homolog (Drosophila)	383 aa	319 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	VCP protein	0.0025	0.1054	0.1054
Onchocerca volvulus	Neurogenic locus notch homolog	0.0015	0.0445	0.00000013229
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0219	0.0198
Toxoplasma gondii	cell division protein CDC48CY	0.006	0.335	0.7281
Schistosoma mansoni	notch	0.0015	0.0445	0.0445
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Brugia malayi	vesicle-fusing ATPase	0.0035	0.1731	0.1748
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Schistosoma mansoni	notch	0.0015	0.0445	0.0445
Schistosoma mansoni	notch	0.0015	0.0445	0.0445
Schistosoma mansoni	laminin gamma-3 chain	0.0015	0.0445	0.0445
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Echinococcus granulosus	protein jagged 2	0.0015	0.0445	0.043
Leishmania major	guanosine monophosphate reductase	0.0076	0.4434	1
Echinococcus multilocularis	protein jagged 1	0.0015	0.0445	0.043
Brugia malayi	GCC2 and GCC3 family protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Echinococcus multilocularis	slit 2 protein	0.0015	0.0445	0.043
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0076	0.4434	1
Schistosoma mansoni	slit	0.0015	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0076	0.4434	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0076	0.4434	0.4434
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0015	0.0445	0.00000013229
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Trichomonas vaginalis	spermatogenesis associated factor, putative	0.006	0.335	1
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0076	0.4434	1
Echinococcus multilocularis	fibropellin Ia	0.0015	0.0445	0.043
Plasmodium vivax	cell division cycle protein 48 homologue, putative	0.0057	0.3148	0.6989
Loa Loa (eye worm)	vesicle-fusing ATPase	0.0035	0.1731	0.1748
Echinococcus multilocularis	protein jagged 1	0.0015	0.0445	0.043
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0032	0.1512	0.1524
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0076	0.4434	1
Echinococcus granulosus	neurogenic locus notch protein	0.0015	0.0445	0.043
Echinococcus granulosus	neurogenic locus notch protein	0.0015	0.0445	0.043
Echinococcus multilocularis	neurogenic locus notch protein	0.0015	0.0445	0.043
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0076	0.4434	1
Echinococcus granulosus	delta-like protein 1	0.0015	0.0445	0.043
Echinococcus granulosus	neuroglian	0.0011	0.0177	0.0155
Toxoplasma gondii	cell division protein CDC48AP	0.0036	0.1778	0.334
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Loa Loa (eye worm)	Notch2	0.0015	0.0445	0.043
Toxoplasma gondii	IMP dehydrogenas	0.0076	0.4434	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0015	0.0445	0.043
Echinococcus granulosus	notch	0.0015	0.0445	0.043
Onchocerca volvulus	Transitional endoplasmic reticulum ATPase homolog	0.006	0.335	0.357
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0025	0.1054	0.1054
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0076	0.4434	0.5
Schistosoma mansoni	nephrin	0.0011	0.0177	0.0177
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0025	0.1054	0.1054
Echinococcus granulosus	roundabout 2	0.0014	0.037	0.0353
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0032	0.1512	0.1524
Brugia malayi	Delta serrate ligand family protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Schistosoma mansoni	notch	0.0015	0.0445	0.0445
Echinococcus granulosus	neural cadherin	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Onchocerca volvulus		0.0134	0.821	0.9542
Echinococcus granulosus	protein jagged 1	0.0015	0.0445	0.043
Loa Loa (eye worm)	GMP reductase	0.0032	0.1512	0.1524
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0076	0.4434	1
Echinococcus granulosus	protein jagged 1	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0157	0.9779	1
Brugia malayi	Cadherin domain containing protein	0.0015	0.0445	0.043
Schistosoma mansoni	vesicular amine transporter	0.0012	0.0235	0.0235
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Echinococcus multilocularis	neural cadherin	0.0015	0.0445	0.043
Entamoeba histolytica	transitional endoplasmic reticulum ATPase, putative	0.0057	0.3148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Trypanosoma brucei	GMP reductase	0.0076	0.4434	1
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0057	0.3148	0.3148
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Schistosoma mansoni	septate junction protein	0.0015	0.0445	0.0445
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0076	0.4434	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0139	0.8582	1
Trypanosoma cruzi	GMP reductase	0.0076	0.4434	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0009	0.0026	0.0026
Brugia malayi	Cadherin domain containing protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0014	0.037	0.0353
Echinococcus granulosus	neurogenic locus protein delta	0.0015	0.0445	0.043
Trypanosoma cruzi	GMP reductase	0.0076	0.4434	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Brugia malayi	Muscle positioning protein 4	0.0015	0.0445	0.043
Echinococcus granulosus	twitchin	0.0011	0.0177	0.0155
Echinococcus multilocularis	neurogenic locus protein delta	0.0015	0.0445	0.043
Echinococcus multilocularis	neuroglian	0.0011	0.0177	0.0155
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0076	0.4434	0.452
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1731	0.1748
Brugia malayi	transitional endoplasmic reticulum ATPase TER94, putative	0.0025	0.1054	0.1054
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0076	0.4434	0.452
Echinococcus multilocularis	protein jagged 2	0.0015	0.0445	0.043
Echinococcus multilocularis	neurogenic locus notch protein	0.0015	0.0445	0.043
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0072	0.4138	1
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0036	0.1809	0.0119
Brugia malayi	EGF-like domain containing protein	0.0015	0.0445	0.043
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0219	0.0198
Echinococcus granulosus	fibropellin Ia	0.0015	0.0445	0.043
Giardia lamblia	AAA family ATPase	0.0036	0.1778	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0149	0.9215	0.9423
Schistosoma mansoni	cell adhesion molecule	0.0012	0.0219	0.0219
Toxoplasma gondii	transitional endoplasmic reticulum ATPase, putative	0.0036	0.1778	0.334
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.006	0.335	0.335
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	notch protein	0.0015	0.0445	0.043
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0157	0.9779	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0015	0.0445	0.043
Brugia malayi	valosin containing protein	0.0035	0.1731	0.1748
Brugia malayi	notch-like transmembrane receptor	0.0015	0.0445	0.043
Schistosoma mansoni	notch	0.0015	0.0445	0.0445
Echinococcus granulosus	protein jagged 2	0.0015	0.0445	0.043
Onchocerca volvulus	Putative GMP reductase	0.0032	0.1512	0.1312
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	0.0157	0.9779	1
Brugia malayi	Protein kinase domain containing protein	0.0157	0.9779	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0149	0.9215	0.9423
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0015	0.0445	0.0445
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0076	0.4434	0.452
Schistosoma mansoni	notch	0.0015	0.0445	0.0445
Brugia malayi	Calcium binding EGF domain containing protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Schistosoma mansoni	hypothetical protein	0.0015	0.0445	0.0445
Schistosoma mansoni	cell polarity protein	0.0015	0.0445	0.0445
Echinococcus multilocularis	roundabout 2	0.0014	0.037	0.0353
Echinococcus granulosus	transitional endoplasmic reticulum atpase	0.006	0.335	0.3408
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.004	0.206	0.0954
Echinococcus granulosus	neurogenic locus notch protein 4	0.0015	0.0445	0.043
Echinococcus multilocularis	notch	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0445	0.043
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0157	0.9779	1
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0076	0.4434	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0015	0.0445	0.043
Brugia malayi	GMP reductase	0.0032	0.1512	0.1524
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0076	0.4434	0.452
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0072	0.4138	0.8882
Echinococcus multilocularis	neurogenic locus protein delta	0.0015	0.0445	0.043
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0009	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0014	0.037	0.0353
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0072	0.4138	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.9779	1
Echinococcus granulosus	slit 2 protein	0.0015	0.0445	0.043
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.006	0.335	0.3408
Entamoeba histolytica	cdc48-like protein, putative	0.0057	0.3148	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0015	0.0445	0.043
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.004	0.206	0.1061

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.11 uM	Inhibition of DLK (unknown origin) by RT-FRET assay	ChEMBL.	25589918
Ki (binding)	= 0.11 uM	Inhibition of N-terminally GST-tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminal His-tagged MKK4 K131M substrate incubated for 60 mins by TR-FRET assay	ChEMBL.	No reference

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: CHEMBL3355004

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 944707