TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 442.448 | Formula: C23H19FN8O
H donors: 3 H acceptors: 5 LogP: 2.07 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1cccc(c1)C(=O)N)F
InChi: 1S/C23H19FN8O/c1-13-5-7-17(24)21(29-13)22-20(15-6-8-19-27-12-28-32(19)11-15)30-18(31-22)10-26-16-4-2-3-14(9-16)23(25)33/h2-9,11-12,26H,10H2,1H3,(H2,25,33)(H,30,31)
InChiKey: RPJBEJCOQGUCJS-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	activin A receptor, type IB	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase 14	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	TGF beta receptor type 1	Get druggable targets OG5_129709	All targets in OG5_129709
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	TGF beta receptor type 1	Get druggable targets OG5_129709	All targets in OG5_129709
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	bone morphogenetic protein type 1 receptor	Get druggable targets OG5_129709	All targets in OG5_129709
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	Get druggable targets OG5_129709	All targets in OG5_129709
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma mansoni	protein kinase	Get druggable targets OG5_129709	All targets in OG5_129709
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	TGF-beta receptor type-1	Get druggable targets OG5_129709	All targets in OG5_129709
Schistosoma japonicum	ko:K04674 transforming growth factor, beta receptor I, putative	Get druggable targets OG5_129709	All targets in OG5_129709
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 14	360 aa	336 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0304	0.1057
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0164	0.0185
Brugia malayi	serine/threonine-protein kinase plk-2	0.0198	0.2658	0.9238
Echinococcus granulosus	activin receptor type	0.0088	0.1068	0.1068
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Echinococcus granulosus	TGF beta receptor type 1	0.0193	0.2585	0.2585
Brugia malayi	Pre-SET motif family protein	0.0031	0.0242	0.0825
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0078	0.0015
Loa Loa (eye worm)	endoplasmin	0.0035	0.0299	0.1039
Trypanosoma cruzi	Heat shock protein 83, putative	0.0035	0.0299	0.1109
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0033	0.0033
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0537	0.1867
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Schistosoma mansoni	hypothetical protein	0.0016	0.0033	0.0029
Giardia lamblia	Grp94/Hsp90	0.0027	0.0197	0.014
Echinococcus granulosus	lamin	0.0029	0.0214	0.0214
Trichomonas vaginalis	heat shock protein, putative	0.0021	0.0106	0.0118
Brugia malayi	intermediate filament protein	0.0029	0.0214	0.0729
Toxoplasma gondii	exonuclease III APE	0.0019	0.0078	0.2503
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0164	0.057
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0078	0.0278
Echinococcus granulosus	heat shock protein 90	0.0027	0.0197	0.0197
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0502	0.0502
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0164	0.0185
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0078	0.0086
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0078	0.0278
Brugia malayi	Muscleblind-like protein	0.0159	0.2092	0.7268
Schistosoma mansoni	endoplasmin	0.0035	0.0299	0.0294
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0027	0.0197	0.0727
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0027	0.0197	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0072	0.0251
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0502	0.0498
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0164	0.0228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0502	0.0498
Echinococcus granulosus	mitogen activated protein kinase 14	0.0153	0.2011	0.2011
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0153	0.2011	0.7564
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0027	0.0197	0.0347
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Giardia lamblia	Kinase, PLK	0.0198	0.2658	0.3025
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Trypanosoma brucei	polo-like protein kinase	0.0198	0.2658	1
Trichomonas vaginalis	heat shock protein, putative	0.0027	0.0197	0.0224
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0298	0.4101	1
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0075	0.0884	0.3074
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0153	0.2011	0.2011
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Brugia malayi	heat shock protein 90	0.0035	0.0299	0.1025
Echinococcus multilocularis	serine:threonine protein kinase receptor R3	0.0088	0.1068	0.1068
Brugia malayi	protein C17H12.11	0.0074	0.0863	0.2989
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0078	0.2503
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0014	0.0005	0.0005
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0033	0.0033
Echinococcus multilocularis	lamin	0.0029	0.0214	0.0214
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0164	0.0228
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0502	0.0498
Schistosoma mansoni	hypothetical protein	0.0035	0.0304	0.03
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1565	0.544
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Schistosoma mansoni	lamin	0.0029	0.0214	0.0209
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0609	0.8604	1
Brugia malayi	bone morphogenetic protein type 1 receptor	0.0191	0.2564	0.8911
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0214	0.0729
Schistosoma mansoni	lamin	0.0029	0.0214	0.0209
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0214	0.0209
Trichomonas vaginalis	heat shock protein, putative	0.0027	0.0197	0.0224
Onchocerca volvulus		0.0029	0.0214	0.0635
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0153	0.2011	0.2011
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0242	0.0237
Loa Loa (eye worm)	heat shock protein 75	0.0014	0.0005	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0863	0.3
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0072	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0035	0.0299	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Onchocerca volvulus		0.0031	0.0242	0.0719
Toxoplasma gondii	heat shock protein 90, putative	0.0035	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0072	0.0251
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0164	0.0264
Onchocerca volvulus	Huntingtin homolog	0.0125	0.1611	0.4873
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0502	0.1732
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0164	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1611	0.5601
Echinococcus multilocularis	heat shock protein 90	0.0027	0.0197	0.0197
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0078	0.0272
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0153	0.2011	0.2011
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0033	0.0033
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0033	0.0116
Echinococcus granulosus	endoplasmin	0.0027	0.0197	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2092	0.7273
Onchocerca volvulus		0.0242	0.3301	1
Echinococcus multilocularis	muscleblind protein	0.0159	0.2092	0.2092
Echinococcus multilocularis	TGF beta receptor type 1	0.0193	0.2585	0.2585
Schistosoma mansoni	hypothetical protein	0.0016	0.0033	0.0029
Trypanosoma brucei	heat shock protein 90, putative	0.0035	0.0299	0.1109
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0214	0.0744
Trypanosoma cruzi	polo-like protein kinase, putative	0.0198	0.2658	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0242	0.8049
Brugia malayi	Pre-SET motif family protein	0.0213	0.2876	1
Echinococcus granulosus	muscleblind protein	0.0159	0.2092	0.2092
Brugia malayi	hypothetical protein	0.0125	0.1611	0.5594
Trypanosoma cruzi	heat shock protein 90, putative	0.0035	0.0299	0.1109
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Brugia malayi	MH2 domain containing protein	0.0122	0.1565	0.5433
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0298	0.4101	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0502	0.0502
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Toxoplasma gondii	heat shock protein HSP90	0.0035	0.0299	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0198	0.2658	1
Plasmodium falciparum	heat shock protein 90	0.0035	0.0299	1
Echinococcus multilocularis	activin receptor type	0.0088	0.1068	0.1068
Echinococcus multilocularis	lamin dm0	0.0029	0.0214	0.0214
Schistosoma mansoni	hypothetical protein	0.0016	0.0033	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1611	0.5601
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0164	0.057
Onchocerca volvulus		0.0029	0.0214	0.0635
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0242	0.0242
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0078	0.0256
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Onchocerca volvulus	Huntingtin homolog	0.0125	0.1611	0.4873
Schistosoma mansoni	ap endonuclease	0.0019	0.0078	0.0074
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0153	0.2011	0.6992
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0214	0.0744
Onchocerca volvulus		0.0025	0.0164	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0072	0.0251
Trypanosoma cruzi	heat shock protein 85, putative	0.0027	0.0197	0.0727
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0298	0.4101	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0225	0.0225
Echinococcus granulosus	heat shock protein	0.0035	0.0299	0.0299
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0027	0.0197	0.0085
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0033	0.0033
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0537	0.1854
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0502	0.1745
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0072	0.2292
Echinococcus multilocularis	heat shock protein 90	0.0035	0.0299	0.0299
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0502	0.0502
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0164	0.0185
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0033	0.0033
Echinococcus multilocularis	musashi	0.0029	0.0214	0.0214
Loa Loa (eye worm)	heat shock protein 90	0.0035	0.0299	0.1039
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0078	0.2503
Plasmodium falciparum	endoplasmin, putative	0.0021	0.0106	0.345
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2092	0.7273
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0072	0.0037
Trypanosoma cruzi	heat shock protein 90, putative	0.002	0.0095	0.0339
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0027	0.0197	0.014
Loa Loa (eye worm)	TKL/STKR/TYPE2 protein kinase	0.0075	0.0884	0.3074
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Schistosoma mansoni	heat shock protein	0.0035	0.0299	0.0294
Trypanosoma cruzi	heat shock protein 85, putative	0.0035	0.0299	0.1109
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Trichomonas vaginalis	heat shock protein, putative	0.0027	0.0197	0.0224
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0164	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0206	0.0718
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0078	0.0052
Schistosoma mansoni	protein kinase	0.0086	0.1046	0.1042
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0242	0.0242
Trichomonas vaginalis	endoplasmin, putative	0.0021	0.0106	0.0118
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0078	0.0086
Treponema pallidum	fructose-bisphosphate aldolase	0.0609	0.8604	1
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.1221	0.1414
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0033	0.01
Plasmodium vivax	endoplasmin, putative	0.0035	0.0299	1
Echinococcus granulosus	TGF-beta receptor type-1	0.0193	0.2585	0.2585
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0164	0.0601
Trypanosoma cruzi	heat shock protein 85, putative	0.0035	0.0299	0.1109
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Echinococcus granulosus	intermediate filament protein	0.0029	0.0214	0.0214
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0035	0.0299	0.0259
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0884	0.3063
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0164	0.0228
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1565	0.544
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0078	0.0078
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Entamoeba histolytica	heat shock protein 90, putative	0.0035	0.0299	0.0342
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0153	0.2011	0.7564
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0153	0.2011	0.2011
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0164	0.0555
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Trypanosoma brucei	Heat shock protein 83, putative	0.0035	0.0299	0.1109
Echinococcus multilocularis	endoplasmin	0.0027	0.0197	0.0197
Entamoeba histolytica	heat shock protein 90, putative	0.0035	0.0299	0.0342
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0198	0.2658	0.2658
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0033	0.01
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Schistosoma mansoni	kinase	0.0101	0.1258	0.1254
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0242	0.0237
Schistosoma mansoni	protein kinase	0.0193	0.2585	0.2582
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0027	0.0197	1
Echinococcus multilocularis	heat shock protein	0.0035	0.0299	0.0299
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0022	0.0076
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0242	0.0237
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.2092	0.2092
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0164	0.0264
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0164	0.0555
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0164	0.0228
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0078	0.0278
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0153	0.2011	0.7564
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0198	0.2658	0.3085
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0164	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0072	0.0251
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0078	0.0086
Schistosoma mansoni	serine/threonine protein kinase	0.0198	0.2658	0.2654
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.3301	0.3834
Brugia malayi	P38 map kinase family protein 2	0.0153	0.2011	0.6988
Echinococcus granulosus	heat shock protein 90	0.0035	0.0299	0.0299
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2876	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0164	0.057
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0072	0.2292
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0242	0.0237
Plasmodium vivax	heat shock protein 86, putative	0.0035	0.0299	1
Echinococcus granulosus	lamin dm0	0.0029	0.0214	0.0214
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0022	0.006
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0164	0.0601
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0191	0.2564	0.8913
Echinococcus granulosus	GPCR family 2	0.0016	0.0033	0.0033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0502	0.0502
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Giardia lamblia	Fructose-bisphosphate aldolase	0.0609	0.8604	1
Treponema pallidum	heat shock protein 90	0.0027	0.0197	0.014
Trypanosoma cruzi	polo-like protein kinase, putative	0.0198	0.2658	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Brugia malayi	Endoplasmin precursor	0.0035	0.0299	0.1025
Leishmania major	heat shock protein 83-1	0.0035	0.0299	0.1109
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0078	0.0278
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0242	0.0242
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.1221	0.1414
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0164	0.0228
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0242	0.8049
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0164	0.0555
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0242	0.084
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0164	0.0601
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.2658	0.3085
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0537	0.1854
Mycobacterium ulcerans	heat shock protein 90	0.0027	0.0197	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0537	0.1867
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0153	0.2011	0.7564
Trypanosoma cruzi	heat shock protein 85, putative	0.0035	0.0299	0.1109
Schistosoma mansoni	endoplasmin	0.0035	0.0299	0.0294
Brugia malayi	hypothetical protein	0.0074	0.0863	0.2989
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0214	0.0744
Trypanosoma cruzi	heat shock protein 90, putative	0.0027	0.0197	0.0727
Schistosoma mansoni	heat shock protein	0.0035	0.0299	0.0294
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0304	0.1042
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0609	0.8604	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0609	0.8604	1
Trypanosoma brucei	heat shock protein, putative	0.0035	0.0299	0.1109
Echinococcus granulosus	mitogen activated protein kinase 11	0.0153	0.2011	0.2011
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0198	0.2658	0.9239
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0198	0.2658	0.2658
Trypanosoma brucei	heat shock protein 90, putative	0.0035	0.0299	0.1109
Schistosoma mansoni	ap endonuclease	0.0019	0.0078	0.0074
Schistosoma mansoni	hypothetical protein	0.0016	0.0033	0.0029
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0198	0.2658	0.8047
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0033	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0072	0.0251
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0014	0.0005	0.0005

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11 nM	Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 insect cells using casein as substrate by proprietary radioisotopic protein kinase assay	ChEMBL.	26483198
IC50 (binding)	= 251 nM	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by proprietary radioisotopic protein kinase assay	ChEMBL.	26483198

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: CHEMBL3634707

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 1943213