TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.542 | Formula: C29H26N4O3
H donors: 2 H acceptors: 4 LogP: 5.72 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(NC(=O)C(=O)c2ccc(c3c2cccc3)Nc2ccncc2)cc(cc1C#N)C(C)(C)C
InChi: 1S/C29H26N4O3/c1-29(2,3)19-15-18(17-30)27(36-4)25(16-19)33-28(35)26(34)23-9-10-24(22-8-6-5-7-21(22)23)32-20-11-13-31-14-12-20/h5-16H,1-4H3,(H,31,32)(H,33,35)
InChiKey: LZIAGZLGKVTFMX-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
Candida albicans	MAP kinase involved in osmoregulation	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 multilocularis	mitogen activated protein kinase 11	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
Schistosoma japonicum	ko:K04441 p38 MAP kinase, 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
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 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 major	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
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 11	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 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
Trypanosoma cruzi	mitogen-activated protein 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
Leishmania infantum	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
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0026	0.0236	0.1036
Onchocerca volvulus		0.0058	0.064	0.2753
Leishmania major	DNA topoisomerase ii	0.0132	0.1555	0.2681
Leishmania major	DNA topoisomerase 1A	0.0058	0.064	0.1084
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0191	0.2275	0.228
Onchocerca volvulus		0.004	0.0419	0.1772
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0419	0.0401
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0029	0.0044
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0554	0.1099
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.051	0.2174
Echinococcus multilocularis	cpg binding protein	0.003	0.0295	0.0289
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0058	0.064	0.1084
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0058	0.064	0.1084
Echinococcus multilocularis	inositol polyphosphate 5 phosphatase OCRL 1	0.0008	0.0019	0.0011
Leishmania major	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Trichomonas vaginalis	ocrl type II inositol 5-phosphatase, putative	0.0008	0.0019	0.0084
Mycobacterium ulcerans	DNA topoisomerase I	0.0058	0.064	0.0414
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Treponema pallidum	DNA topoisomerase I (topA)	0.0058	0.064	0.0622
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.051	0.2174
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0026	0.0236	0.0217
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0419	0.1841
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0029	0.0046
Trypanosoma brucei	Heat shock protein 83, putative	0.0026	0.0236	0.0378
Toxoplasma gondii	heat shock protein HSP90	0.0026	0.0236	0.0378
Mycobacterium ulcerans	hypothetical protein	0.004	0.0419	0.0188
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0008	0.0019	0.0084
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0419	0.0401
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0026	0.0236	0.0217
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0026	0.0236	0.0217
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.004	0.0413	0.1746
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.004	0.0413	0.0182
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0058	0.064	0.0414
Loa Loa (eye worm)	hypothetical protein	0.004	0.0419	0.1772
Giardia lamblia	DNA topoisomerase II	0.0165	0.1959	1
Entamoeba histolytica	DNA topoisomerase III, putative	0.0058	0.064	0.2753
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0419	0.0414
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0419	0.0401
Echinococcus multilocularis	dnaJ subfamily B	0.0409	0.4979	0.5
Echinococcus granulosus	neutral sphingomyelinase	0.0008	0.0019	0.0023
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0419	0.1841
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0132	0.1555	0.2681
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0058	0.064	0.1084
Trichomonas vaginalis	type II inositol 5-phosphatase, putative	0.0008	0.0019	0.0084
Toxoplasma gondii	heat shock protein 90, putative	0.0026	0.0236	0.0378
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0026	0.0236	0.0378
Plasmodium falciparum	DNA topoisomerase 2	0.0191	0.2275	0.226
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.004	0.0413	0.1746
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0554	0.1099
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.0236	0.0378
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0132	0.1555	0.2681
Brugia malayi	beta-lactamase family protein	0.004	0.0419	0.1772
Plasmodium vivax	heat shock protein 86, putative	0.0026	0.0236	0.0217
Schistosoma mansoni	hypothetical protein	0.0298	0.3606	0.7238
Schistosoma mansoni	cpg binding protein	0.0029	0.0275	0.0537
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0026	0.0236	0.0217
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0811	0.9951	1
Schistosoma mansoni	nocturnin	0.0008	0.0019	0.0023
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0591	0.0587
Giardia lamblia	DNA topoisomerase III	0.0058	0.064	0.3201
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0058	0.064	0.1272
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0419	0.1841
Trichomonas vaginalis	sensor histidine kinase, putative	0.0026	0.0236	0.1036
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.18	0.1802
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.18	0.3604
Echinococcus multilocularis	rho GTPase activating protein 20	0.0058	0.064	0.0636
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0029	0.0022
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0026	0.0236	0.0217
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.004	0.0413	0.2031
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0196	0.2344	0.235
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.18	0.7892
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.18	0.1802
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Mycobacterium ulcerans	lipase LipD	0.004	0.0419	0.0188
Loa Loa (eye worm)	endoplasmin	0.0026	0.0236	0.096
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0258	0.311	0.3097
Mycobacterium tuberculosis	Conserved protein	0.004	0.0419	0.0401
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0058	0.064	0.1282
Plasmodium vivax	DNA topoisomerase 3, putative	0.0058	0.064	0.0622
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0058	0.064	0.2814
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0673	0.1338
Brugia malayi	mbt repeat family protein	0.0048	0.051	0.2174
Brugia malayi	heat shock protein 90	0.0026	0.0236	0.096
Onchocerca volvulus		0.004	0.0419	0.1772
Schistosoma mansoni	synaptojanin	0.0008	0.0019	0.0023
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Plasmodium vivax	endoplasmin, putative	0.0026	0.0236	0.0217
Plasmodium falciparum	DNA gyrase subunit B	0.0815	1	1
Entamoeba histolytica	DNA topoisomerase II, putative	0.0191	0.2275	1
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0026	0.0236	0.0378
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0591	0.2536
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0026	0.0236	0.0378
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0026	0.0236	0.0378
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0591	0.1174
Leishmania major	hypothetical protein, conserved	0.004	0.0419	0.0698
Brugia malayi	Probable DNA topoisomerase II	0.0191	0.2275	1
Toxoplasma gondii	ABC1 family protein	0.004	0.0419	0.0698
Trichomonas vaginalis	type IV inositol 5-phosphatase, putative	0.0008	0.0019	0.0084
Trypanosoma cruzi	heat shock protein 90, putative	0.0026	0.0236	0.0378
Plasmodium vivax	DNA gyrase subunit B, putative	0.0815	1	1
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0191	0.2275	1
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0191	0.2275	0.4561
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.18	0.1802
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0008	0.0019	0.0084
Mycobacterium tuberculosis	Conserved protein	0.004	0.0419	0.0401
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0191	0.2275	1
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.18	0.3109
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0815	1	1
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0191	0.2275	1
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0058	0.064	0.2753
Echinococcus granulosus	dnaJ subfamily B	0.0409	0.4979	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0419	0.0188
Schistosoma mansoni	endoplasmin	0.0026	0.0236	0.0459
Schistosoma mansoni	heat shock protein	0.0026	0.0236	0.0459
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0419	0.0827
Brugia malayi	Endoplasmin precursor	0.0026	0.0236	0.096
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0471	0.5746	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0591	0.1174
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0026	0.0236	0.0217
Entamoeba histolytica	heat shock protein 90, putative	0.0026	0.0236	0.096
Echinococcus granulosus	inositol polyphosphate 5 phosphatase OCRL 1	0.0008	0.0019	0.0023
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0026	0.0236	0.0217
Chlamydia trachomatis	DNA gyrase subunit B	0.0535	0.6529	0.6446
Mycobacterium ulcerans	DNA gyrase subunit B	0.0815	1	1
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0815	1	1
Entamoeba histolytica	DNA topoisomerase III, putative	0.0058	0.064	0.2753
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Mycobacterium ulcerans	beta-lactamase	0.004	0.0419	0.0188
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.051	0.0505
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.051	0.0505
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0236	0.1036
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0008	0.0019	0.0023
Trichomonas vaginalis	endoplasmin, putative	0.0026	0.0236	0.1036
Echinococcus granulosus	heat shock protein 90	0.0026	0.0236	0.0459
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Trichomonas vaginalis	receptor histidine kinase, putative	0.0026	0.0236	0.1036
Plasmodium falciparum	DNA topoisomerase VI, b subunit, putative	0.0026	0.0236	0.0217
Schistosoma mansoni	cpg binding protein	0.003	0.0295	0.0578
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0026	0.0236	0.0217
Schistosoma mansoni	ap endonuclease	0.004	0.0413	0.0815
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Echinococcus multilocularis	deoxyribonuclease 1 2	0.0008	0.0019	0.0011
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0419	0.0698
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0026	0.0236	0.0378
Schistosoma mansoni	cript-related	0.0008	0.0019	0.0023
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Schistosoma mansoni	DNA topoisomerase II	0.0191	0.2275	0.4561
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0026	0.0236	0.0217
Leishmania major	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0058	0.064	0.1272
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.004	0.0413	0.0395
Schistosoma mansoni	heat shock protein	0.0026	0.0236	0.0459
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0419	0.1772
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0413	0.1815
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.051	0.1009
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0554	0.2371
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.18	0.3109
Loa Loa (eye worm)	hypothetical protein	0.004	0.0419	0.1772
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0471	0.5746	1
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Brugia malayi	kinase, mitochondrial precursor	0.0026	0.0236	0.096
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0419	0.0401
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.051	0.1009
Toxoplasma gondii	exonuclease III APE	0.004	0.0413	0.0688
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0419	0.0401
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.18	0.3109
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.004	0.0413	0.0688
Trypanosoma brucei	DNA topoisomerase ii	0.0471	0.5746	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0419	0.1772
Brugia malayi	beta-lactamase family protein	0.004	0.0419	0.1772
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0028	0.0039
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0554	0.2371
Echinococcus multilocularis	neutral sphingomyelinase	0.0008	0.0019	0.0011
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Brugia malayi	DNA topoisomerase III	0.0058	0.064	0.2753
Echinococcus granulosus	synaptojanin 1	0.0008	0.0019	0.0023
Echinococcus granulosus	CCR4 NOT transcription complex subunit 6	0.0008	0.0019	0.0023
Plasmodium falciparum	endoplasmin, putative	0.0026	0.0236	0.0217
Brugia malayi	exodeoxyribonuclease III family protein	0.004	0.0413	0.1746
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.004	0.0413	0.0688
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0471	0.5746	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0591	0.0587
Schistosoma mansoni	hypothetical protein	0.0409	0.4979	1
Giardia lamblia	Pms1-like protein	0.0026	0.0236	0.1117
Plasmodium vivax	DNA topoisomerase II, putative	0.0191	0.2275	0.226
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0591	0.1174
Trichomonas vaginalis	sphingomyelinase C 2 precursor, putative	0.0008	0.0019	0.0084
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0191	0.2275	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0554	0.1099
Brugia malayi	beta-lactamase	0.004	0.0419	0.1772
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0419	0.0581
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0026	0.0236	0.1036
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.0236	0.0378
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0026	0.0236	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1555	0.6806
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Schistosoma mansoni	pyruvate dehydrogenase	0.0026	0.0236	0.0459
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0554	0.0549
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.004	0.0413	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0236	0.096
Trypanosoma brucei	heat shock protein 90, putative	0.0026	0.0236	0.0378
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0058	0.064	0.1272
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0554	0.0549
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.004	0.0413	0.0815
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.004	0.0413	0.0688
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0026	0.0236	0.0378
Mycobacterium tuberculosis	Conserved protein	0.004	0.0419	0.0401
Echinococcus multilocularis	CCR4 NOT transcription complex subunit 6	0.0008	0.0019	0.0011
Echinococcus granulosus	traf and tnf receptor associated protein	0.0008	0.0019	0.0023
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0554	0.1099
Loa Loa (eye worm)	TOPoisomerase family member	0.0191	0.2275	1
Schistosoma mansoni	synaptojanin	0.0008	0.0019	0.0023
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0275	0.1133
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0419	0.0188
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0554	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1555	0.6806
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0026	0.0236	0.0217
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0419	0.0698
Brugia malayi	DNA topoisomerase III beta-1	0.0058	0.064	0.2753
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0132	0.1555	0.2681
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.18	0.3109
Schistosoma mansoni	cpg binding protein	0.003	0.0295	0.0578
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0026	0.0236	0.0229
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0413	0.1815
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0058	0.064	0.1272
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0026	0.0236	0.0229
Loa Loa (eye worm)	heat shock protein 90	0.0026	0.0236	0.096
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0419	0.0401
Leishmania major	hypothetical protein, conserved	0.0026	0.0236	0.0378
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0593	0.1001
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0591	0.2536
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0419	0.1841
Onchocerca volvulus		0.004	0.0419	0.1772
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Loa Loa (eye worm)	hypothetical protein	0.004	0.0419	0.1772
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0026	0.0236	0.1036
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0191	0.2275	0.394
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0008	0.0019	0.0084
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0026	0.0236	0.0217
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0419	0.0698
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0815	1	1
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.18	0.3604
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0191	0.2275	1
Toxoplasma gondii	DNA topoisomerase family protein	0.0058	0.064	0.1084
Leishmania major	heat shock protein 83-1	0.0026	0.0236	0.0378
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0026	0.0236	0.0217
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0026	0.0236	0.1036
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0058	0.064	0.0622
Echinococcus multilocularis	synaptojanin 1	0.0008	0.0019	0.0011
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.004	0.0413	0.0688
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0026	0.0236	0.0459
Mycobacterium leprae	Probable lipase LipE	0.004	0.0419	0.0581
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0419	0.0401
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0419	0.0401
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.051	0.1009
Trypanosoma cruzi	Heat shock protein 83, putative	0.0026	0.0236	0.0378
Onchocerca volvulus		0.0029	0.0275	0.1133
Loa Loa (eye worm)	hypothetical protein	0.004	0.0419	0.1772
Giardia lamblia	DNA topoisomerase III	0.0058	0.064	0.3201
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.0236	0.0378
Trypanosoma brucei	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Plasmodium vivax	hypothetical protein, conserved	0.0026	0.0236	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0048	0.051	0.2174
Trichomonas vaginalis	esterase, putative	0.004	0.0419	0.1841
Schistosoma mansoni	endoplasmin	0.0026	0.0236	0.0459
Chlamydia trachomatis	DNA topoisomerase I	0.0058	0.064	0.0414
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0419	0.0827
Echinococcus multilocularis	traf and tnf receptor associated protein	0.0008	0.0019	0.0011
Echinococcus granulosus	heat shock protein	0.0026	0.0236	0.0459
Brugia malayi	P38 map kinase family protein 2	0.0152	0.18	0.7892
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.051	0.1009
Trypanosoma brucei	DNA topoisomerase III, putative	0.0058	0.064	0.1084
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.051	0.1009
Trypanosoma cruzi	heat shock protein 90, putative	0.0026	0.0236	0.0378
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0058	0.064	0.0636
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0026	0.0236	0.0217
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0058	0.064	0.2814
Schistosoma mansoni	ap endonuclease	0.004	0.0413	0.0815
Loa Loa (eye worm)	DNA topoisomerase III	0.0058	0.064	0.2753
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0419	0.1772
Loa Loa (eye worm)	MBCTL1	0.0054	0.0591	0.2536
Brugia malayi	GRF zinc finger family protein	0.0058	0.064	0.2753
Entamoeba histolytica	heat shock protein 90, putative	0.0026	0.0236	0.096
Echinococcus multilocularis	heat shock protein	0.0026	0.0236	0.0229
Trypanosoma brucei	heat shock protein 90, putative	0.0026	0.0236	0.0378
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0026	0.0236	0.1036
Brugia malayi	mbt repeat family protein	0.0048	0.051	0.2174
Onchocerca volvulus		0.0048	0.051	0.2174
Loa Loa (eye worm)	beta-lactamase	0.004	0.0419	0.1772
Trichomonas vaginalis	receptor histidine kinase, putative	0.0026	0.0236	0.1036
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0413	0.0395
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0236	0.1036
Schistosoma mansoni	carbon catabolite repressor protein	0.0008	0.0019	0.0023
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.004	0.0413	0.0182
Echinococcus multilocularis	heat shock protein 90	0.0026	0.0236	0.0229
Echinococcus granulosus	cpg binding protein	0.003	0.0295	0.0578
Trypanosoma brucei	heat shock protein, putative	0.0026	0.0236	0.0378
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0058	0.064	0.1084
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0236	0.0217
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0132	0.1555	0.2681
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0419	0.1841
Treponema pallidum	exodeoxyribonuclease (exoA)	0.004	0.0413	0.0395
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0191	0.2275	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0419	0.0827
Schistosoma mansoni	neutral sphingomyelinase	0.0008	0.0019	0.0023
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0281	0.339	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0419	0.1772
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0275	0.1133
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0026	0.0236	0.0378
Leishmania major	mitochondrial DNA topoisomerase II	0.0471	0.5746	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.18	0.1802
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0413	0.0395
Trichomonas vaginalis	Phospholipase C precursor, putative	0.0008	0.0019	0.0084
Plasmodium falciparum	heat shock protein 90	0.0026	0.0236	0.0217
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0196	0.2344	0.47
Trichomonas vaginalis	skeletal muscle/kidney enriched inositol 5-phosphatase, putative	0.0008	0.0019	0.0084

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 150 nM	Ex vivo inhibition of THF-alpha-production in human whole blood	ChEMBL.	20663667
IC50 (binding)	= 0.051 uM	Inhibition of p38 alpha activity by ELISA	ChEMBL.	20663667

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20663667

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: CHEMBL1208952

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1126940