TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 385.505 | Formula: C24H27N5
H donors: 2 H acceptors: 2 LogP: 4.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cncc(c1Nc1ccc2c(c1C)cc[nH]2)/C=C/CCN1CCCCC1
InChi: 1S/C24H27N5/c1-18-21-10-11-27-23(21)9-8-22(18)28-24-19(16-26-17-20(24)15-25)7-3-6-14-29-12-4-2-5-13-29/h3,7-11,16-17,27H,2,4-6,12-14H2,1H3,(H,26,28)/b7-3+
InChiKey: QPOFNLCOWXWKRN-XVNBXDOJSA-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	protein kinase C, theta	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, delta	Starlite/ChEMBL	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_132502	All targets in OG5_132502
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Onchocerca volvulus		Get druggable targets OG5_132502	All targets in OG5_132502

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
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0104	0.0547
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.1447	0.1088
Plasmodium falciparum	glutathione reductase	0.0046	0.0402	0.375
Schistosoma mansoni	lamin	0.0026	0.011	0.0582
Schistosoma mansoni	hypothetical protein	0.0031	0.0183	0.0967
Schistosoma mansoni	hypothetical protein	0.007	0.0764	0.4039
Mycobacterium tuberculosis	Probable reductase	0.0105	0.1274	0.0908
Leishmania major	hypothetical protein, conserved	0.0109	0.1331	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1331	0.2645
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0402	0.08
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0183	0.0192
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0104	0.0547
Echinococcus granulosus	lamin	0.0026	0.011	0.0116
Echinococcus granulosus	tumor protein p63	0.0662	0.9508	1
Brugia malayi	hypothetical protein	0.007	0.0764	0.2409
Loa Loa (eye worm)	hypothetical protein	0.0333	0.4649	0.9242
Trypanosoma brucei	hypothetical protein, conserved	0.0109	0.1331	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.011	0.0347
Trypanosoma cruzi	hypothetical protein, conserved	0.0109	0.1331	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0183	0.0192
Loa Loa (eye worm)	beta-lactamase	0.0109	0.1331	0.2645
Schistosoma mansoni	hypothetical protein	0.0031	0.0183	0.0967
Trypanosoma cruzi	hypothetical protein, conserved	0.0109	0.1331	1
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0183	0.0364
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.1274	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0874	0.1738
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Mycobacterium leprae	Probable lipase LipE	0.0109	0.1331	0.9124
Entamoeba histolytica	hypothetical protein	0.007	0.0764	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0183	0.0192
Schistosoma mansoni	hypothetical protein	0.0031	0.0183	0.0967
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0109	0.1331	0.0967
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.0874	0.6281
Schistosoma mansoni	lamin	0.0026	0.011	0.0582
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.0477	0.0502
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.1179	0.3717
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0874	0.5
Loa Loa (eye worm)	hypothetical protein	0.0333	0.4649	0.9242
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0026	0.0104	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1179	0.2343
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.1274	0.8696
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0026	0.0104	0.0109
Echinococcus granulosus	intermediate filament protein	0.0026	0.011	0.0116
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.1447	0.1088
Echinococcus multilocularis	serine threonine protein kinase	0.0026	0.0104	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0103	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0359	0.503	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1331	0.2645
Mycobacterium leprae	conserved hypothetical protein	0.0109	0.1331	0.9124
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0104	0.0109
Loa Loa (eye worm)	MH2 domain-containing protein	0.0233	0.3171	0.6303
Plasmodium vivax	hypothetical protein, conserved	0.0109	0.1331	1
Echinococcus granulosus	protein kinase c iota type	0.0044	0.0373	0.0393
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0109	0.1331	0.0967
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.0373	0.1973
Trichomonas vaginalis	penicillin-binding protein, putative	0.0109	0.1331	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0044	0.0373	0.0393
Mycobacterium tuberculosis	Probable esterase LipL	0.0109	0.1331	0.0967
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0109	0.1331	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0109	0.1331	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0874	0.5
Brugia malayi	beta-lactamase family protein	0.0109	0.1331	0.4197
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.0764	0.4039
Brugia malayi	glutathione reductase	0.0046	0.0402	0.1269
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0402	0.2435
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Mycobacterium tuberculosis	Conserved protein	0.0109	0.1331	0.0967
Mycobacterium tuberculosis	Conserved protein	0.0109	0.1331	0.0967
Schistosoma mansoni	intermediate filament proteins	0.0026	0.011	0.0582
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0104	0.0327
Echinococcus granulosus	GPCR family 2	0.0031	0.0183	0.0192
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.1274	0.0908
Entamoeba histolytica	hypothetical protein	0.007	0.0764	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.1274	0.0908
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0026	0.0104	0.0206
Brugia malayi	Probable ClpP-like protease	0.0078	0.0874	0.2758
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.0477	0.0078
Toxoplasma gondii	ABC1 family protein	0.0109	0.1331	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0026	0.0104	0.0327
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.0373	0.1973
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0026	0.0104	0.0109
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0104	0.0547
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Mycobacterium ulcerans	lipase LipD	0.0109	0.1331	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.0477	0.2698
Mycobacterium tuberculosis	Probable lipase LipD	0.0109	0.1331	0.0967
Brugia malayi	MH2 domain containing protein	0.0233	0.3171	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.011	0.0219
Brugia malayi	beta-lactamase	0.0109	0.1331	0.4197
Mycobacterium ulcerans	esterase/lipase LipP	0.0109	0.1331	1
Onchocerca volvulus		0.0109	0.1331	0.2689
Echinococcus granulosus	NDR protein kinase	0.0026	0.0104	0.0109
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0718	0.2264
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.1274	0.0908
Echinococcus granulosus	beta LACTamase domain containing family member	0.0109	0.1331	0.14
Echinococcus granulosus	serine:threonine protein kinase N2	0.0026	0.0104	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0352	0.4919	0.9778
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0109	0.1331	0.7035
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0026	0.0104	0.0109
Echinococcus multilocularis	lamin	0.0026	0.011	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0333	0.4649	0.9242
Trichomonas vaginalis	D-aminoacylase, putative	0.0109	0.1331	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1331	0.2645
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0026	0.0104	0.0206
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0078	0.0874	0.5688
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0402	0.0423
Echinococcus multilocularis	lamin dm0	0.0026	0.011	0.0116
Brugia malayi	protein kinase C II.	0.0044	0.0373	0.1177
Trichomonas vaginalis	D-aminoacylase, putative	0.0109	0.1331	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0109	0.1331	0.2645
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.1179	0.2343
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0104	0.0327
Echinococcus granulosus	protein kinase c epsilon type	0.0044	0.0373	0.0393
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0109	0.1331	0.4197
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0026	0.0104	0.0109
Echinococcus granulosus	Protein kinase C brain isozyme	0.0044	0.0373	0.0393
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0026	0.0104	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1331	0.2645
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0402	0.2338
Mycobacterium ulcerans	hypothetical protein	0.0109	0.1331	1
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.0373	0.1973
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0402	0.08
Mycobacterium tuberculosis	Conserved protein	0.0109	0.1331	0.0967
Onchocerca volvulus		0.0097	0.1154	0.2301
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0078	0.0874	0.092
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.0764	0.0804
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0874	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0026	0.0104	0.0206
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0104	0.0547
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.1274	0.0908
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.1447	0.1088
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0874	0.5
Schistosoma mansoni	hypothetical protein	0.0067	0.0718	0.3795
Mycobacterium tuberculosis	Probable hydrolase	0.0109	0.1331	0.0967
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0402	0.375
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0183	0.0577
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0109	0.1331	0.14
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0026	0.0104	0.0206
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Schistosoma mansoni	hypothetical protein	0.0031	0.0183	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0718	0.1427
Mycobacterium ulcerans	beta-lactamase	0.0109	0.1331	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1331	0.2645
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.0477	0.0502
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0183	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1331	0.2645
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.0764	0.0804
Entamoeba histolytica	hypothetical protein	0.007	0.0764	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0044	0.0373	0.0742
Trichomonas vaginalis	esterase, putative	0.0109	0.1331	1
Brugia malayi	intermediate filament protein	0.0026	0.011	0.0347
Loa Loa (eye worm)	transcription factor SMAD2	0.0233	0.3171	0.6303
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.1179	0.3717
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0104	0.0109
Brugia malayi	beta-lactamase family protein	0.0109	0.1331	0.4197
Loa Loa (eye worm)	hypothetical protein	0.0026	0.011	0.0219
Toxoplasma gondii	hypothetical protein	0.0027	0.0119	0.0127
Echinococcus multilocularis	protein kinase c iota type	0.0044	0.0373	0.0393
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.011	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1154	0.2295
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0026	0.0104	0.0206
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0109	0.1331	0.0967
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0874	1
Onchocerca volvulus		0.0333	0.4649	1
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0104	0.0067
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0026	0.0104	0.0206
Echinococcus granulosus	lamin dm0	0.0026	0.011	0.0116
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0026	0.0104	0.0109
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0026	0.0104	0.0109
Echinococcus multilocularis	musashi	0.0026	0.011	0.0116
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0078	0.0874	0.092
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0183	0.0364
Schistosoma mansoni	peptidase Clp (S14 family)	0.0078	0.0874	0.4623
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0109	0.1331	0.7035
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0183	0.0577
Schistosoma mansoni	atypical protein kinase C	0.0044	0.0373	0.1973
Echinococcus multilocularis	protein kinase c epsilon type	0.0044	0.0373	0.0393
Onchocerca volvulus		0.0109	0.1331	0.2689
Schistosoma mansoni	serine/threonine kinase	0.0026	0.0104	0.0547
Echinococcus granulosus	protein kinase C gamma type	0.0026	0.0104	0.0109
Brugia malayi	Hr1 repeat family protein	0.0026	0.0104	0.0327
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.0477	0.0078
Trypanosoma brucei	trypanothione reductase	0.0046	0.0402	0.2435
Schistosoma mansoni	cellular tumor antigen P53	0.0097	0.1154	0.6102
Mycobacterium tuberculosis	Probable lipase LipE	0.0109	0.1331	0.0967
Echinococcus multilocularis	tumor protein p63	0.0662	0.9508	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.1447	1
Onchocerca volvulus		0.0109	0.1331	0.2689
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0078	0.0874	0.6234
Entamoeba histolytica	hypothetical protein	0.007	0.0764	1
Brugia malayi	Thioredoxin reductase	0.0046	0.0402	0.1269
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0402	0.0423
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0104	0.0327
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.0874	0.6281
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0402	0.2338
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0183	0.0192
Trichomonas vaginalis	penicillin-binding protein, putative	0.0109	0.1331	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 35 nM	Inhibition of PKCtheta by fluorescence polarization assay	ChEMBL.	19884013
IC50 (binding)	= 260 nM	Inhibition of PKCdelta by fluorescence polarization assay	ChEMBL.	19884013

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: CHEMBL593387

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 1090366