TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.36 | Formula: C18H17N5O
H donors: 2 H acceptors: 2 LogP: 2.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCCNc1ccn2c(n1)c(cn2)c1cccc(c1)c1ccco1
InChi: 1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22)
InChiKey: VDFWYILSYHAMNU-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	serine/threonine protein kinase	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
Echinococcus multilocularis	proto oncogene serine:threonine 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
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	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
Onchocerca volvulus	Serine\/threonine protein kinase homolog	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
Brugia malayi	Protein kinase domain containing protein	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	regulator of G protein signaling	0.0143	0.0857	0.0857
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0294	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0143	0.0857	1
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0147	0.0889	0.099
Brugia malayi	PXA domain containing protein	0.0143	0.0857	0.0857
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0196	0.1238	0.1378
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0147	0.0889	0.099
Loa Loa (eye worm)	PXA domain-containing protein	0.0143	0.0857	0.0857
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0183	0.0183
Echinococcus multilocularis	protein patched	0.0041	0.0138	0.0153
Entamoeba histolytica	hypothetical protein	0.0143	0.0857	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0294	0.0294
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0143	0.0857	0.0857
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0157	0.0959	0.1067
Echinococcus multilocularis	axis inhibition protein axin	0.0143	0.0857	0.0954
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0183	0.0183
Echinococcus granulosus	Niemann Pick C1 protein	0.0138	0.082	0.0913
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.0527	0.0587
Brugia malayi	PXA domain containing protein	0.0143	0.0857	0.0857
Trichomonas vaginalis	conserved hypothetical protein	0.0143	0.0857	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.0527	0.0527
Brugia malayi	regulator of G-protein signaling egl-10	0.0143	0.0857	0.0857
Echinococcus granulosus	expressed conserved protein	0.009	0.0486	0.0541
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0857	0.0857
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0143	0.0857	0.0857
Trichomonas vaginalis	conserved hypothetical protein	0.0143	0.0857	1
Loa Loa (eye worm)	RGS-3 protein	0.0143	0.0857	0.0857
Echinococcus multilocularis	regulator of G protein signaling 7	0.0143	0.0857	0.0954
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0892	0.0892
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0143	0.0857	0.0954
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0183	0.0204
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.0889	0.0889
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0183	0.0183
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0183	0.0183
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0143	0.0857	0.0857
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.0527	0.6112
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0147	0.0889	0.0889
Echinococcus granulosus	regulator of G protein signaling 3	0.0143	0.0857	0.0954
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0294	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0143	0.0857	0.0857
Schistosoma mansoni	regulator of G protein signaling	0.0143	0.0857	0.0857
Trichomonas vaginalis	conserved hypothetical protein	0.0143	0.0857	1
Brugia malayi	hypothetical protein	0.0148	0.0892	0.0892
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0179	0.0199
Echinococcus multilocularis	expressed protein	0.0143	0.0857	0.0954
Echinococcus granulosus	regulator of G protein signaling 3	0.0143	0.0857	0.0954
Echinococcus granulosus	axis inhibition protein axin	0.0143	0.0857	0.0954
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0183	0.0183
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0157	0.0959	0.1067
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0009	0.5
Brugia malayi	A-kinase anchor protein 10, precursor	0.0143	0.0857	0.0857
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0009	0.0009
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.1289	0.8988	1
Schistosoma mansoni	hypothetical protein	0.004	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.004	0.0127	0.0127
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1289	0.8988	0.8988
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0009	0.0009
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0294	1
Echinococcus multilocularis	alkaline phosphatase	0.0157	0.0959	0.1067
Schistosoma mansoni	lipoxygenase	0.0061	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0857	0.0857
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0138	0.0153
Schistosoma mansoni	alkaline phosphatase	0.0157	0.0959	0.0959
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.0538	0.0538
Echinococcus granulosus	axis inhibition protein axin	0.0143	0.0857	0.0954
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0009	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0183	0.0204
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0196	0.1238	0.1238
Schistosoma mansoni	serine/threonine protein kinase	0.1432	1	1
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0157	0.0959	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0143	0.0857	0.0857
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1432	1	1
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0143	0.0857	0.0857
Plasmodium vivax	multidomain scavenger receptor, putative	0.0022	0	0.5
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0196	0.1238	0.1238
Onchocerca volvulus		0.0023	0.0009	0.0074
Entamoeba histolytica	hypothetical protein	0.0143	0.0857	1
Entamoeba histolytica	hypothetical protein	0.0143	0.0857	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0424	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.0143	0.0857	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0138	0.082	0.0913
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0857	0.0857
Echinococcus granulosus	regulator of G protein signaling 7	0.0143	0.0857	0.0954
Echinococcus granulosus	expressed protein	0.0143	0.0857	0.0954
Schistosoma mansoni	regulator of G protein signaling	0.0143	0.0857	0.0857
Echinococcus multilocularis	regulator of G protein signaling 3	0.0143	0.0857	0.0954
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0294	0.0294
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0143	0.0857	0.0954
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0061	0.0279	0.0311
Schistosoma mansoni	alkaline phosphatase	0.0157	0.0959	0.0959
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0183	0.0204
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0196	0.1238	0.1238
Echinococcus granulosus	regulator of G protein signaling 7	0.0143	0.0857	0.0954
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0857	0.0857
Brugia malayi	CHE-14 protein	0.0041	0.0138	0.0138
Brugia malayi	Protein kinase domain containing protein	0.0196	0.1238	0.1238
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0157	0.0959	0.1067
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0294	0.0328
Schistosoma mansoni	axis inhibition protein axin	0.0143	0.0857	0.0857
Schistosoma mansoni	axis inhibition protein axin	0.0143	0.0857	0.0857
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0138	0.0153
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0061	0.0279	0.0311
Schistosoma mansoni	regulator of G protein signaling	0.0143	0.0857	0.0857
Schistosoma mansoni	patched 1	0.0041	0.0138	0.0138
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0196	0.1238	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0294	1
Schistosoma mansoni	hypothetical protein	0.004	0.0127	0.0127
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0183	0.0204
Trichomonas vaginalis	conserved hypothetical protein	0.0143	0.0857	1
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0157	0.0959	0.1067
Brugia malayi	hypothetical protein	0.0143	0.0857	0.0857
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0196	0.1238	0.1378
Echinococcus granulosus	Regulator of G protein signaling 20	0.0143	0.0857	0.0954
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0527	0.0527
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0009	0.0009
Onchocerca volvulus		0.0148	0.0892	0.7208
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0294	1
Brugia malayi	regulator of G-protein signaling rgs-7	0.0143	0.0857	0.0857
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.1289	0.8988	0.8988
Echinococcus multilocularis	regulator of G protein signaling 7	0.0143	0.0857	0.0954
Schistosoma mansoni	hypothetical protein	0.004	0.0127	0.0127
Echinococcus multilocularis	axis inhibition protein axin	0.0143	0.0857	0.0954
Echinococcus granulosus	alkaline phosphatase	0.0157	0.0959	0.1067
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0143	0.0857	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0294	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0294	0.0328
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0009	0.0009
Schistosoma mansoni	z-protein (S1r protein)	0.0143	0.0857	0.0857
Echinococcus multilocularis	regulator of G protein signaling	0.0143	0.0857	0.0954
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0143	0.0857	0.0954
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0143	0.0857	0.0857
Schistosoma mansoni	regulator of G protein signaling	0.0143	0.0857	0.0857
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0138	0.0153
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0793	0.5467	0.6083
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.0527	0.0587
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.1289	0.8988	1
Echinococcus multilocularis	expressed conserved protein	0.009	0.0486	0.0541
Schistosoma mansoni	serine/threonine protein kinase	0.0196	0.1238	0.1238
Echinococcus multilocularis	regulator of G protein signaling 3	0.0143	0.0857	0.0954
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.0889	0.0889
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0157	0.0959	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0857	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0204	0.0204
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.1289	0.8988	0.8988
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0857	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0138	0.0138

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.5 nM	Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF assay	ChEMBL.	24091081
IC50 (binding)	= 89 nM	Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF assay	ChEMBL.	24091081

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: CHEMBL2442290

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 1790282