TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 392.375 | Formula: C19H19F3N4O2
H donors: 2 H acceptors: 3 LogP: 4.1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1CC[C@H](CC1)Nc1ccn2c(n1)c(cn2)c1cccc(c1)OC(F)(F)F
InChi: 1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25)/t13-,14-
InChiKey: ATMAGFPFVYJWHA-HDJSIYSDSA-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	Pim-1 proto-oncogene, serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	Pim-2 proto-oncogene, serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	fms-related tyrosine kinase 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Onchocerca volvulus	Serine\/threonine protein kinase homolog	Get druggable targets OG5_134863	All targets in OG5_134863
Loa Loa (eye worm)	CAMK/PIM protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Schistosoma japonicum	ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative	Get druggable targets OG5_134863	All targets in OG5_134863
Brugia malayi	Serine/threonine-protein kinase Pim-3	Get druggable targets OG5_134863	All targets in OG5_134863
Loa Loa (eye worm)	CAMK/PIM protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_134863	All targets in OG5_134863
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	protein lipid droplet kinase (LDK)	Pim-2 proto-oncogene, serine/threonine kinase	311 aa	278 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.004	0.0046
Schistosoma mansoni	60S ribosomal protein L21	0.0006	0.0015	0.0018
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0005	0	0.5
Brugia malayi	Kinesin motor domain containing protein	0.008	0.123	0.4008
Echinococcus multilocularis	neuroglian	0.0019	0.0226	0.0226
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0007	0.004	0.0129
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0018	0.0021
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0005	0	0.5
Plasmodium vivax	kinesin-5	0.008	0.123	1
Schistosoma mansoni	voltage-gated potassium channel	0.0006	0.0015	0.0018
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Plasmodium falciparum	cGMP-dependent protein kinase	0.0006	0.0018	0.0148
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.004	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0444	0.1447
Schistosoma mansoni	cell adhesion molecule	0.0019	0.0226	0.026
Echinococcus granulosus	hyperpolarization activated cyclic	0.0007	0.004	0.004
Echinococcus granulosus	cGMP dependent protein kinase	0.0006	0.0018	0.0018
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.0095	0.0095
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.0226	0.0736
Echinococcus granulosus	Immunoglobulin	0.0019	0.0226	0.0226
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0006	0.0018	0.0148
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0007	0.004	0.004
Treponema pallidum	catabolite gene activator	0.0005	0	0.5
Schistosoma mansoni	kinesin eg-5	0.008	0.123	0.1415
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0007	0.004	0.0129
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0484	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0007	0.004	0.004
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.004	0.0046
Toxoplasma gondii	kinesin motor domain-containing protein	0.008	0.123	1
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0007	0.004	0.004
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0121	0.0396
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0019	0.0226	0.026
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0095	0.031
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0018	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Entamoeba histolytica	kinesin, putative	0.008	0.123	0.5
Echinococcus granulosus	twitchin	0.002	0.0244	0.0244
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0018	0.0021
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0007	0.004	0.004
Schistosoma mansoni	nephrin	0.0019	0.0226	0.026
Mycobacterium tuberculosis	Conserved protein	0.0005	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0095	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0064	0.0207
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0006	0.0018	0.0059
Echinococcus multilocularis	Immunoglobulin	0.0019	0.0226	0.0226
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.0095	0.0095
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0007	0.004	0.082
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.004	0.0046
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0006	0.0018	0.0018
Echinococcus multilocularis	expressed conserved protein	0.0006	0.0018	0.0018
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0193	0.3068	1
Loa Loa (eye worm)	kinesin-like protein KLP2	0.008	0.123	0.4008
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0007	0.004	0.004
Brugia malayi	hypothetical protein	0.0019	0.0226	0.0736
Leishmania major	protein kinase, putative	0.0006	0.0018	0.1495
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0019	0.0226	0.0226
Echinococcus granulosus	hyperpolarization activated cyclic	0.0007	0.004	0.004
Brugia malayi	Fibronectin type III domain containing protein	0.0019	0.0226	0.0736
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.0095	0.0095
Echinococcus multilocularis	Immunoglobulin	0.0019	0.0226	0.0226
Schistosoma mansoni	serine/threonine protein kinase	0.0193	0.3068	0.353
Treponema pallidum	cyclic nucleotide binding protein	0.0005	0	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0012	0.0121	1
Chlamydia trachomatis	cAMP-dependent protein kinase regulatory subunit	0.0005	0	0.5
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0019	0.0226	0.026
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0121	0.0396
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0121	1
Leishmania major	cytochrome p450-like protein	0.0012	0.0121	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0579	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.0095	0.031
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0524	0.0524
Echinococcus multilocularis	kinesin family 1	0.0618	1	1
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0121	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0524	0.0524
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0524	0.1706
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0019	0.0226	0.0226
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0121	0.0396
Brugia malayi	Egg laying defective protein 4	0.0006	0.0018	0.0059
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0007	0.004	0.004
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0006	0.0018	0.0018
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0253	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0095	0.0109
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0007	0.004	0.004
Treponema pallidum	catabolite gene activator (Crp)	0.0005	0	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.004	0.0046
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.0095	0.0095
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0005	0	0.5
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0006	0.0018	0.0018
Echinococcus granulosus	defective proboscis extension response	0.0019	0.0226	0.0226
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0121	0.0396
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0193	0.3068	1
Brugia malayi	Protein kinase domain containing protein	0.0193	0.3068	1
Schistosoma mansoni	hypothetical protein	0.0538	0.8691	1
Mycobacterium leprae	Conserved hypothetical protein	0.0005	0	0.5
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0006	0.0018	0.0018
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0193	0.3068	1
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0005	0	0.5
Plasmodium falciparum	kinesin-5	0.008	0.123	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.004	0.0046
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0193	0.3068	0.3068
Echinococcus granulosus	neuroglian	0.0019	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Leishmania major	protein kinase, putative	0.0006	0.0018	0.1495
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0012	0.0121	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.002	0.0253	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.0129
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0121	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0193	0.3068	0.3068
Echinococcus granulosus	roundabout 2	0.0019	0.0226	0.0226
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0524	0.1706
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0007	0.004	0.004
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0007	0.004	0.004
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0579	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0226	0.0736
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0007	0.004	0.0129
Schistosoma mansoni	vesicular amine transporter	0.0021	0.0265	0.0305
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0193	0.3068	1
Giardia lamblia	Kinesin-5	0.008	0.123	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0484	1
Echinococcus multilocularis	roundabout 2	0.0019	0.0226	0.0226
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0007	0.004	0.082
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0005	0	0.5
Treponema pallidum	cyclic nucleotide binding protein	0.0005	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 27 nM	Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay	ChEMBL.	25589932
IC50 (binding)	= 27 nM	Kinase-Glo Assay	BINDINGDB.	No reference
IC50 (binding)	= 157 nM	Inhibition of human Flt3 (unknown origin)	ChEMBL.	25589932
IC50 (binding)	= 269 nM	Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay	ChEMBL.	25589932
IC50 (binding)	> 30000 nM	Fast Patch Assay	BINDINGDB.	No reference
IC50 (binding)	> 30 uM	Inhibition of human ERG expressed in CHO cells by automated patch clamp method	ChEMBL.	25589932

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: CHEMBL3355544

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 943038