TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.328 | Formula: C19H13F3N4O
H donors: 1 H acceptors: 2 LogP: 3.38 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)Nc1cc(=O)n(c2c1cnn2c1c(F)cccc1F)C
InChi: 1S/C19H13F3N4O/c1-25-17(27)9-16(24-12-7-5-11(20)6-8-12)13-10-23-26(19(13)25)18-14(21)3-2-4-15(18)22/h2-10,24H,1H3
InChiKey: OSUHNYIQFCDTCD-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
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
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	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 congolense	mitogen-activated protein kinase 3, putative	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 brucei gambiense	mitogen-activated protein kinase 3, putative	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
Candida albicans	MAP kinase involved in osmoregulation	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
Leishmania infantum	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 14	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
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	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
Candida albicans	MAP kinase involved in osmoregulation	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 mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	P38 map kinase family protein 2	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
Echinococcus multilocularis	mitogen activated protein kinase 11	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

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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.4423	0.6943
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.4785	0.7512
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0047	0.1168	0.2292
Echinococcus granulosus	carbonic anhydrase	0.0059	0.1592	0.2499
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.124	0.1946
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.4423	0.4423
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0047	0.1168	0.1833
Echinococcus granulosus	6 phosphofructokinase	0.0048	0.121	0.1899
Echinococcus multilocularis	tissue type plasminogen activator	0.0014	0.0009	0.0014
Mycobacterium ulcerans	lipase LipD	0.0037	0.0824	0.2923
Echinococcus multilocularis	carbonic anhydrase	0.0059	0.1592	0.2499
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0082	0.2361	0.4655
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0824	0.1303
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0234	0.0445
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0824	0.1266
Brugia malayi	hypothetical protein	0.0177	0.5655	1
Echinococcus granulosus	tissue type plasminogen activator	0.0014	0.0009	0.0014
Brugia malayi	6-phosphofructokinase	0.0048	0.121	0.2126
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.124	0.124
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1375	0.2419
Echinococcus granulosus	glutamate receptor NMDA	0.0038	0.0869	0.1363
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0234	0.0367
Brugia malayi	CHE-14 protein	0.0019	0.0212	0.0358
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0164	0.5205	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.016	0.5062	0.8949
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0824	0.0842
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0824	0.2995
Schistosoma mansoni	hypothetical protein	0.0036	0.0795	0.0795
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Plasmodium falciparum	pyruvate kinase	0.0019	0.0189	0.1136
Echinococcus granulosus	Protein patched homolog 1	0.0019	0.0212	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1592	0.2803
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0019	0.0189	0.0356
Toxoplasma gondii	ABC1 family protein	0.0037	0.0824	0.2338
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0059	0.1592	0.2803
Onchocerca volvulus		0.0037	0.0824	0.1443
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0212	0.0358
Trichomonas vaginalis	phosphofructokinase, putative	0.0048	0.121	0.2035
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0824	0.1266
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0824	0.1443
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0122
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0082	0.2361	0.6751
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0082	0.2361	0.4655
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0824	0.2923
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0824	0.1443
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0019	0.0212	0.0358
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0047	0.1168	0.1168
Onchocerca volvulus		0.0177	0.5655	1
Echinococcus multilocularis	carbonic anhydrase	0.0059	0.1592	0.2499
Loa Loa (eye worm)	pyruvate kinase	0.0019	0.0189	0.0318
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.4423	0.4423
Echinococcus multilocularis	nmda type glutamate receptor	0.004	0.0933	0.1464
Leishmania major	pyruvate kinase	0.0019	0.0189	0.0356
Echinococcus multilocularis	muscleblind protein	0.0084	0.2437	0.3825
Leishmania major	ATP-dependent phosphofructokinase	0.0048	0.121	0.2376
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.124	0.124
Trichomonas vaginalis	phosphofructokinase, putative	0.0048	0.121	0.2035
Echinococcus granulosus	pyruvate kinase	0.0019	0.0189	0.0297
Brugia malayi	hypothetical protein	0.0019	0.0201	0.034
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0198	0.6371	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0059	0.1592	0.2803
Brugia malayi	6-phosphofructokinase	0.0048	0.121	0.2126
Schistosoma mansoni	pyruvate kinase	0.0019	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0084	0.2437	0.4299
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0234	0.2758
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0122
Echinococcus granulosus	GPCR family 2	0.0017	0.0122	0.0192
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0047	0.1168	0.2051
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0562	0.679
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.4785	0.9453
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0019	0.0212	0.0212
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0082	0.2361	0.433
Plasmodium vivax	pyruvate kinase, putative	0.0019	0.0189	0.2206
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0824	0.1266
Plasmodium falciparum	carbonic anhydrase	0.0059	0.1592	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0234	0.0207
Echinococcus granulosus	carbonic anhydrase	0.0059	0.1592	0.2499
Trichomonas vaginalis	inositol monophosphatase, putative	0.0082	0.2361	0.433
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.1475	0.2596
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0824	0.0842
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0019	0.0189	0.0356
Loa Loa (eye worm)	pyruvate kinase	0.0019	0.0189	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0189	0.0318
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0082	0.2361	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0122	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0049	0.124	0.218
Toxoplasma gondii	PAN domain-containing protein	0.0115	0.3493	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0048	0.121	0.2126
Echinococcus multilocularis	6 phosphofructokinase	0.0048	0.121	0.1899
Echinococcus multilocularis	geminin	0.0181	0.5771	0.9059
Loa Loa (eye worm)	hypothetical protein	0.003	0.0562	0.098
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0824	0.2995
Brugia malayi	phosphofructokinase	0.0048	0.121	0.2126
Entamoeba histolytica	phosphofructokinase, putative	0.0048	0.121	0.1963
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Loa Loa (eye worm)	phosphofructokinase	0.0048	0.121	0.2126
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0047	0.1168	0.2292
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.1475	0.2315
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0082	0.2361	0.4279
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0122	0.0192
Schistosoma mansoni	carbonic anhydrase-related	0.0059	0.1592	0.1592
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.4785	0.9433
Loa Loa (eye worm)	carbonic anhydrase 3	0.016	0.5062	0.8949
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0048	0.121	0.4699
Schistosoma mansoni	hypothetical protein	0.0059	0.1592	0.1592
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0824	0.0842
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0824	0.2923
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0212	0.0045
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0824	0.0842
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0562	0.1588
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.124	0.218
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0234	0.009
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.1475	0.2315
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.4785	0.7512
Echinococcus multilocularis	carbonic anhydrase	0.0059	0.1592	0.2499
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0073	0.2066	0.2489
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0824	0.1293
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0122	0.02
Trypanosoma brucei	carbonic anhydrase-like protein	0.016	0.5062	1
Toxoplasma gondii	exonuclease III APE	0.002	0.0234	0.0645
Giardia lamblia	Fructose-bisphosphate aldolase	0.0164	0.5205	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.4785	0.7512
Leishmania major	hypothetical protein, conserved	0.003	0.0562	0.1095
Echinococcus multilocularis	glutamate receptor NMDA	0.0038	0.0869	0.1363
Brugia malayi	mbt repeat family protein	0.0049	0.124	0.218
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1592	0.2803
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.1475	0.2315
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0562	0.1095
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.4785	0.7512
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0824	0.0842
Entamoeba histolytica	phosphofructokinase, putative	0.0048	0.121	0.1963
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0059	0.1592	0.2803
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.4785	0.8459
Schistosoma mansoni	carbonic anhydrase	0.0059	0.1592	0.1592
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.1475	0.1475
Echinococcus multilocularis	sterol regulatory element binding protein	0.0019	0.0212	0.0332
Onchocerca volvulus		0.0037	0.0824	0.1443
Brugia malayi	mbt repeat family protein	0.0049	0.124	0.218
Loa Loa (eye worm)	cytochrome P450 family protein	0.0047	0.1173	0.2061
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0022	0.0305	0.0231
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0234	0.009
Onchocerca volvulus	Pyruvate kinase homolog	0.0019	0.0189	0.0318
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0082	0.2361	0.4457
Echinococcus multilocularis	pyruvate kinase	0.0019	0.0189	0.0297
Brugia malayi	Muscleblind-like protein	0.0084	0.2437	0.4299
Brugia malayi	hypothetical protein	0.003	0.0562	0.098
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.4423	0.6943
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0234	0.142
Echinococcus granulosus	inositol monophosphatase 1	0.0082	0.2361	0.3706
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0562	0.3495
Brugia malayi	Inositol-1	0.0082	0.2361	0.4165
Echinococcus granulosus	geminin	0.0181	0.5771	0.9059
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.008	0.2309	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.4423	0.7818
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0824	0.1443
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0019	0.0189	0.0318
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0824	1
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0122	0.0192
Schistosoma mansoni	carbonic anhydrase-related	0.0059	0.1592	0.1592
Schistosoma mansoni	pyruvate kinase	0.0019	0.0189	0.0189
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0824	0.1293
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.016	0.5062	0.8949
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.016	0.5062	0.5062
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0824	0.1266
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0048	0.121	0.1354
Schistosoma mansoni	6-phosphofructokinase	0.0048	0.121	0.121
Schistosoma mansoni	patched 1	0.0019	0.0212	0.0212
Brugia malayi	beta-lactamase family protein	0.0037	0.0824	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1168	0.2051
Echinococcus multilocularis	carbonic anhydrase II	0.016	0.5062	0.7946
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0234	0.009
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0059	0.1592	0.2803
Leishmania major	pyruvate kinase	0.0019	0.0189	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0824	0.1443
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0824	0.0842
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0022	0.0305	0.0231
Loa Loa (eye worm)	MBCTL1	0.0056	0.1475	0.2596
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0562	0.0766
Echinococcus multilocularis	inositol monophosphatase 1	0.0082	0.2361	0.3706
Treponema pallidum	fructose-bisphosphate aldolase	0.0164	0.5205	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0824	0.1443
Echinococcus granulosus	carbonic anhydrase	0.0059	0.1592	0.2499
Loa Loa (eye worm)	pyruvate kinase	0.0019	0.0189	0.0318
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0082	0.2361	0.433
Echinococcus multilocularis	pyruvate kinase	0.0015	0.0053	0.0083
Schistosoma mansoni	inositol monophosphatase	0.0082	0.2361	0.2361
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.1475	0.2315
Schistosoma mansoni	glutamate receptor NMDA	0.0044	0.1057	0.1057
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0824	0.1612
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0795	0.1392
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5655	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0824	0.1612
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1592	0.2803
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0824	0.0842
Leishmania major	carbonic anhydrase-like protein	0.016	0.5062	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0824	0.0842
Echinococcus granulosus	carbonic anhydrase II	0.016	0.5062	0.7946
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0082	0.2361	1
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.124	0.218
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0234	0.0445
Echinococcus granulosus	nmda type glutamate receptor	0.0051	0.1313	0.2062
Leishmania major	hypothetical protein, conserved	0.0037	0.0824	0.1612
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0059	0.1592	0.2803
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.016	0.5062	1
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0048	0.121	0.4815
Schistosoma mansoni	carbonic anhydrase-related	0.0059	0.1592	0.1592
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0073	0.2066	0.8853
Loa Loa (eye worm)	hypothetical protein	0.0084	0.2437	0.4299
Schistosoma mansoni	hypothetical protein	0.0014	0.0009	0.0009
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0824	0.2923
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.4785	0.7512
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.02
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0824	0.1443
Brugia malayi	beta-lactamase family protein	0.0037	0.0824	0.1443
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0122	0.02
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.4785	0.7512
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.016	0.5062	0.8949
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0824	0.1443
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1375	0.2419
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0562	0.1095
Loa Loa (eye worm)	inositol-1	0.0082	0.2361	0.4165
Toxoplasma gondii	hypothetical protein	0.0059	0.1592	0.4543
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0122	0.0192
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0047	0.1168	0.4505
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0234	0.0398
Brugia malayi	Cytochrome P450 family protein	0.0047	0.1173	0.2061
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0234	0.006
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0562	0.3495
Echinococcus multilocularis	Niemann Pick C1 protein	0.0019	0.0212	0.0332
Chlamydia trachomatis	pyruvate kinase	0.0019	0.0189	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0824	0.1266
Entamoeba histolytica	phosphofructokinase, putative	0.0048	0.121	0.1963
Onchocerca volvulus		0.0037	0.0824	0.1443
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0047	0.1168	0.2292
Schistosoma mansoni	ap endonuclease	0.002	0.0234	0.0234
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0048	0.121	0.2376
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0122	0.02
Brugia malayi	P38 map kinase family protein 2	0.0152	0.4785	0.8459
Echinococcus granulosus	pyruvate kinase	0.0019	0.0189	0.0297
Echinococcus multilocularis	muscleblind protein 1	0.0084	0.2437	0.3825
Schistosoma mansoni	ap endonuclease	0.002	0.0234	0.0234
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.124	0.1946
Toxoplasma gondii	PAN domain-containing protein	0.0115	0.3493	1
Schistosoma mansoni	hypothetical protein	0.0181	0.5771	0.5771
Onchocerca volvulus	Pyruvate kinase homolog	0.0019	0.0189	0.0318
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0234	0.0398
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0198	0.6371	1
Echinococcus multilocularis	protein dispatched 1	0.0019	0.0212	0.0332
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.016	0.5062	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.4423	0.6943
Loa Loa (eye worm)	6-phosphofructokinase	0.0048	0.121	0.2126
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0234	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1375	0.2419
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0234	0.0445
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0047	0.1168	0.1833
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0082	0.2361	0.4655
Echinococcus granulosus	nmda type glutamate receptor	0.004	0.0933	0.1464
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0048	0.121	0.2095
Onchocerca volvulus		0.0049	0.124	0.218
Schistosoma mansoni	hypothetical protein	0.0181	0.5771	0.5771
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0047	0.1168	0.2008
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.008	0.2309	0.2812
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0019	0.0189	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0824	0.1443
Echinococcus granulosus	muscleblind protein	0.0084	0.2437	0.3825
Echinococcus granulosus	sterol regulatory element binding protein	0.0019	0.0212	0.0332
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.4785	0.9453
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.124	0.1946
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0824	0.2923
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.008	0.2309	0.976
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Trichomonas vaginalis	esterase, putative	0.0037	0.0824	0.1266
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0059	0.1592	0.2803
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0824	0.1443
Echinococcus granulosus	Niemann Pick C1 protein	0.0019	0.0212	0.0332
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0795	0.1392
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1475	0.2596
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0048	0.121	0.1963
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0824	0.0842
Brugia malayi	beta-lactamase	0.0037	0.0824	0.1443
Toxoplasma gondii	pyruvate kinase PyK1	0.0019	0.0189	0.0516
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0122
Echinococcus multilocularis	protein patched	0.0019	0.0212	0.0332
Schistosoma mansoni	6-phosphofructokinase	0.0048	0.121	0.121
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0164	0.5205	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0122	0.0192
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1375	0.2419
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0022	0.0305	0.0231
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0122
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.7728	1
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0824	0.0842
Onchocerca volvulus	Pyruvate kinase homolog	0.0019	0.0189	0.0318
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.4785	0.9453
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.4423	0.4423
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0824	0.0824
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.124	0.1946
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0164	0.5205	1
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.124	0.124
Trichomonas vaginalis	phosphofructokinase, putative	0.0048	0.121	0.2035
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.016	0.5062	0.5062
Schistosoma mansoni	inositol monophosphatase	0.0082	0.2361	0.2361
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0234	0.0367
Trichomonas vaginalis	phosphofructokinase, putative	0.0048	0.121	0.2035
Echinococcus multilocularis	nmda type glutamate receptor	0.0051	0.1313	0.2062
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.4423	0.7818
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0022	0.0305	0.0231
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.4423	0.6943
Echinococcus multilocularis	pyruvate kinase	0.0019	0.0189	0.0297

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 546 nM	Inhibition of LPS-induced TNFalpha release in human THP1 cells after 3 hrs	ChEMBL.	19574047
IC50 (functional)	> 833 nM	Inhibition of TNF-alpha-stimulated IL8 production in human whole blood incubated for 1 hr before TNFalpha challenge measured after 16 to 18 hrs	ChEMBL.	19574047
IC50 (binding)	> 1000 nM	Inhibition of human recombinant p38alpha assessed as phosphorylation of ATF2 by scintillation proximity assay	ChEMBL.	19574047

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19574047

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: CHEMBL550596

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1040065