TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.372 | Formula: C22H14N4O2
H donors: 2 H acceptors: 2 LogP: 2.96 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=c1[nH]c(=O)c2c1c1c3c4c2c2ccccc2n4CNCn3c2c1cccc2
InChi: 1S/C22H14N4O2/c27-21-17-15-11-5-1-3-7-13(11)25-9-23-10-26-14-8-4-2-6-12(14)16(20(26)19(15)25)18(17)22(28)24-21/h1-8,23H,9-10H2,(H,24,27,28)
InChiKey: JRUZNIAVTIWJAD-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
Rattus norvegicus	Protein kinase C (PKC)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	protein kinase c iota type	Get druggable targets OG5_131830	All targets in OG5_131830
Echinococcus granulosus	protein kinase c iota type	Get druggable targets OG5_131830	All targets in OG5_131830
Brugia malayi	protein kinase C3,putative	Get druggable targets OG5_131830	All targets in OG5_131830
Schistosoma mansoni	atypical protein kinase C	Get druggable targets OG5_131830	All targets in OG5_131830
Schistosoma japonicum	ko:K06069 atypical protein kinase C, putative	Get druggable targets OG5_131830	All targets in OG5_131830
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	Get druggable targets OG5_131830	All targets in OG5_131830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Protein kinase c protein 2	Protein kinase C (PKC)	671 aa	652 aa	65.8 %
Schistosoma mansoni	serine/threonine protein kinase	Protein kinase C (PKC)	671 aa	651 aa	61.8 %
Onchocerca volvulus		Protein kinase C (PKC)	671 aa	653 aa	65.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable non lipolytic carboxylesterase NlhH	0.0145	0.0161	1
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.0069	0.0069
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Echinococcus granulosus	acetylcholinesterase	0.0066	0.0069	0.0069
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0145	0.0161	1
Echinococcus granulosus	BC026374 protein S09 family	0.0011	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0069	0.0069
Schistosoma mansoni	serine/threonine kinase	0.0009	0.0001	0.0001
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0009	0.0001	0.0001
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0145	0.0161	0.0161
Mycobacterium ulcerans	esterase/lipase	0.0145	0.0161	1
Echinococcus multilocularis	neuroligin	0.0011	0.0004	0.0004
Mycobacterium leprae	Possible lipase LipU	0.0145	0.0161	0.5
Leishmania major	hypothetical protein, conserved	0.0145	0.0161	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0011	0.0004	0.0004
Mycobacterium ulcerans	lipase LipH	0.0145	0.0161	1
Loa Loa (eye worm)	ammd protein	0.0145	0.0161	0.0161
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0009	0.0001	0.0001
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0016	0.001	0.001
Mycobacterium tuberculosis	Possible esterase LipW	0.0145	0.0161	1
Entamoeba histolytica	protein kinase, putative	0.0009	0.0001	0.5
Loa Loa (eye worm)	carboxylesterase	0.0011	0.0004	0.0004
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0011	0.0004	0.0004
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0011	0.0004	0.0004
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0011	0.0004	0.0004
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0016	0.001	0.001
Treponema pallidum	N-acetylphosphinothricin-tripetide-deacetylase	0.0145	0.0161	0.5
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0009	0.0001	0.0001
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0009	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Entamoeba histolytica	protein kinase, putative	0.0009	0.0001	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Schistosoma mansoni	gliotactin	0.0011	0.0004	0.0004
Mycobacterium ulcerans	esterase LipC	0.0145	0.0161	1
Loa Loa (eye worm)	hypothetical protein	0.8545	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.0069	0.0069
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0001	0.0001
Schistosoma mansoni	acetylcholinesterase	0.0011	0.0004	0.0004
Onchocerca volvulus		0.0011	0.0004	0.0279
Brugia malayi	aryl-acylamidase	0.0145	0.0161	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.8545	1	1
Onchocerca volvulus		0.0011	0.0004	0.0279
Mycobacterium ulcerans	esterase LipO	0.0145	0.0161	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0009	0.0001	0.0001
Mycobacterium tuberculosis	Probable acetyl-hydrolase/esterase LipR	0.0145	0.0161	1
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0001	0.0078
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0011	0.0004	0.0266
Echinococcus multilocularis	carboxylesterase 5A	0.0066	0.0069	0.0069
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0001	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0009	0.0001	0.0001
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0009	0.0001	0.0001
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0009	0.0001	0.0001
Entamoeba histolytica	protein kinase, putative	0.0009	0.0001	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0066	0.0069	0.0069
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0001	0.0001
Echinococcus granulosus	acetylcholinesterase	0.0066	0.0069	0.0069
Echinococcus granulosus	NDR protein kinase	0.0009	0.0001	0.0001
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0001	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0095	0.0103	0.0103
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0011	0.0004	0.0203
Loa Loa (eye worm)	aryl-acylamidase	0.0145	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Loa Loa (eye worm)	carboxylesterase	0.0011	0.0004	0.0004
Brugia malayi	protein kinase C3,putative	0.0089	0.0096	0.5956
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0145	0.0161	0.5
Echinococcus granulosus	neuroligin	0.0011	0.0004	0.0004
Mycobacterium ulcerans	carboxylesterase LipQ	0.0145	0.0161	1
Mycobacterium ulcerans	hypothetical protein	0.0145	0.0161	1
Mycobacterium ulcerans	acetyl hydrolase MbtJ	0.0145	0.0161	1
Echinococcus granulosus	protein kinase C gamma type	0.001	0.0003	0.0003
Mycobacterium ulcerans	esterase LipW	0.0145	0.0161	1
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0001	0.0001
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0011	0.0004	0.0004
Mycobacterium tuberculosis	Probable esterase LipM	0.0145	0.0161	1
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.001	0.001
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0009	0.0001	0.0001
Echinococcus multilocularis	hormone sensitive lipase	0.8545	1	1
Mycobacterium tuberculosis	Probable carboxylesterase LipQ	0.0145	0.0161	1
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0011	0.0004	0.0004
Leishmania major	ecotin, putative	0.0145	0.0161	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9D	0.0145	0.0161	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0009	0.0001	0.0001
Brugia malayi	Carboxylesterase family protein	0.0011	0.0004	0.0266
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0009	0.0001	0.0001
Onchocerca volvulus		0.0145	0.0161	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0009	0.0001	0.0001
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0011	0.0004	0.0004
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0009	0.0001	0.0001
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Mycobacterium ulcerans	lipase LipU	0.0145	0.0161	1
Trichomonas vaginalis	Esterase, putative	0.0145	0.0161	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0066	0.0069	0.0069
Echinococcus granulosus	carboxylesterase 5A	0.0066	0.0069	0.0069
Brugia malayi	Carboxylesterase family protein	0.0011	0.0004	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0145	0.0161	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.8545	1	1
Echinococcus granulosus	protein kinase c iota type	0.0098	0.0106	0.0106
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0009	0.0001	0.0001
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0161	1
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0145	0.0161	1
Brugia malayi	Carboxylesterase family protein	0.0011	0.0004	0.0266
Trichomonas vaginalis	Esterase, putative	0.0145	0.0161	1
Brugia malayi	Carboxylesterase family protein	0.0011	0.0004	0.0266
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0009	0.0001	0.0001
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Mycobacterium tuberculosis	Probable esterase/lipase LipF	0.0145	0.0161	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0011	0.0004	0.0004
Echinococcus granulosus	protein kinase c epsilon type	0.0016	0.001	0.001
Onchocerca volvulus		0.0011	0.0004	0.0279
Mycobacterium ulcerans	lipase/esterase LipN	0.0145	0.0161	1
Echinococcus multilocularis	protein kinase c iota type	0.0098	0.0106	0.0106
Mycobacterium tuberculosis	Probable esterase LipO	0.0145	0.0161	1
Echinococcus multilocularis	serine threonine protein kinase	0.001	0.0003	0.0003
Brugia malayi	Hr1 repeat family protein	0.0009	0.0001	0.0078
Trichomonas vaginalis	Esterase, putative	0.0145	0.0161	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0009	0.0001	0.0001
Onchocerca volvulus		0.0011	0.0004	0.0279
Trypanosoma cruzi	Alpha/beta hydrolase domain-containing protein	0.0145	0.0161	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.001	0.001
Brugia malayi	Carboxylesterase family protein	0.0066	0.0069	0.4276
Schistosoma mansoni	BC026374 protein (S09 family)	0.0011	0.0004	0.0004
Mycobacterium tuberculosis	Probable esterase LipC	0.0145	0.0161	1
Entamoeba histolytica	protein kinase, putative	0.0009	0.0001	0.5
Schistosoma mansoni	atypical protein kinase C	0.0104	0.0113	0.0113
Mycobacterium ulcerans	membrane-bound esterase LipM	0.0145	0.0161	1
Onchocerca volvulus		0.0011	0.0004	0.0279
Echinococcus granulosus	Protein kinase C brain isozyme	0.0016	0.001	0.001
Mycobacterium ulcerans	lipase LipI	0.0145	0.0161	1
Loa Loa (eye worm)	carboxylesterase	0.0066	0.0069	0.0069
Brugia malayi	protein kinase C II.	0.0016	0.001	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0069	0.0069
Trypanosoma brucei	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0145	0.0161	1
Mycobacterium tuberculosis	Putative acetyl hydrolase MbtJ	0.0145	0.0161	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Echinococcus multilocularis	protein kinase c epsilon type	0.0016	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0004	0.0004
Mycobacterium tuberculosis	Probable lipase/esterase LipN	0.0145	0.0161	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0009	0.0001	0.0078
Echinococcus granulosus	para nitrobenzyl esterase	0.0011	0.0004	0.0004
Trichomonas vaginalis	spcc417.12 protein, putative	0.0011	0.0004	0.0203
Mycobacterium tuberculosis	Possible lipase LipU	0.0145	0.0161	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0001	0.0001
Mycobacterium ulcerans	lipase LipU	0.0145	0.0161	1
Mycobacterium tuberculosis	Probable lipase LipH	0.0145	0.0161	1
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.001	0.001
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.8545	1	1
Brugia malayi	Carboxylesterase family protein	0.0066	0.0069	0.4276
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0009	0.0001	0.0001
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0001	0.0014

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 145 nM	In vitro inhibition of protein kinase C from rat brain.	ChEMBL.	No reference
IC50 (binding)	= 145 nM	In vitro inhibition of protein kinase C from rat brain.	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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 33707