TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.435 | Formula: C22H22N4O3
H donors: 2 H acceptors: 3 LogP: 1.36 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COCCOc1cncc(c1)c1ncc2c(c1)c1[nH]c3c(c1CC2)C(=O)NCC3
InChi: 1S/C22H22N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h8-12,26H,2-7H2,1H3,(H,24,27)
InChiKey: LVZFXQCXIOECDX-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-activated protein kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	map kinase activated protein kinase protein 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma japonicum	ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus granulosus	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus multilocularis	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483

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-activated protein kinase 2	370 aa	303 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0535	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0035	0.0189
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.0152	0.087
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.0152	0.087
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0237
Echinococcus multilocularis	Niemann Pick C1 protein	0.0138	0.1693	0.1691
Loa Loa (eye worm)	oxidoreductase	0.0007	0.0035	0.0113
Echinococcus multilocularis	nibrin	0.001	0.0071	0.0068
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0152	0.9005
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	hypothetical protein	0.0004	0.0003	0.0006
Schistosoma mansoni	sulfide quinone reductase	0.0004	0.0003	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0035	0.0113
Schistosoma mansoni	hypothetical protein	0.0402	0.5019	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0006	0.0023	0.0119
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.3572	1
Leishmania major	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0035	0.0113
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0243	0.0672
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0623	1
Onchocerca volvulus		0.0007	0.0035	0.0595
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0243	0.1399
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0035	0.0189
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0217	0.2688	0.9334
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0169	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1169	0.4054
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0243	0.0834
Mycobacterium tuberculosis	Probable reductase	0.0106	0.1286	0.7478
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0516	0.1023
Brugia malayi	DKFZp564C0469 protein	0.001	0.0071	0.0237
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0035	0.0189
Onchocerca volvulus		0.0047	0.0547	1
Leishmania major	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0169	0.0576
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0243	0.1399
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Plasmodium falciparum	glutathione reductase	0.0016	0.0152	0.2803
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0535	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0152	0.0519
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0243	0.1399
Brugia malayi	hypothetical protein	0.001	0.0071	0.0237
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0169	0.0966
Brugia malayi	hypothetical protein	0.001	0.0071	0.0237
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Brugia malayi	map kinase activated protein kinase protein 2	0.0217	0.2688	0.9334
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Schistosoma mansoni	patched 1	0.0042	0.0473	0.0942
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0152	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0516	0.1783
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0217	0.2688	0.2686
Onchocerca volvulus		0.0006	0.0023	0.0369
Onchocerca volvulus		0.0006	0.0023	0.0369
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0007	0.0035	0.0189
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0157	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0035	0.0113
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0071	0.0191
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0071	0.0191
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0007	0.0035	0.0189
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.003	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0243	0.1399
Brugia malayi	hypothetical protein	0.0233	0.288	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0243	0.0834
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.1435	0.8347
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0704	0.1403
Toxoplasma gondii	patched family protein	0.0006	0.0023	0.0324
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0237
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0056
Echinococcus multilocularis	dnaJ subfamily B	0.0402	0.5019	0.5017
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0071	0.0191
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0035	0.0113
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0007	0.0035	0.0189
Schistosoma mansoni	glutamate synthase	0.0004	0.0003	0.0006
Loa Loa (eye worm)	patched family protein	0.0006	0.0023	0.007
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0007	0.0035	0.0189
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0243	0.4509
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.1169	0.1167
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0152	0.0418
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0035	0.0189
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0059	0.0195
Echinococcus granulosus	expressed conserved protein	0.0091	0.1095	0.2178
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0243	0.1399
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0157	0.0896
Echinococcus multilocularis	muscleblind protein 1	0.0147	0.18	0.1798
Plasmodium falciparum	glutathione reductase	0.0047	0.0535	1
Echinococcus granulosus	muscleblind protein	0.0147	0.18	0.3584
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0152	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.0152	0.087
Treponema pallidum	NADH oxidase	0.0016	0.0152	0.0418
Onchocerca volvulus	Protein patched homolog	0.0006	0.0023	0.0369
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0037	0.0069
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0071	0.0397
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.1719	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0016	0.0152	0.2803
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0071	0.128
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0035	0.0032
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.1719	1
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0535	0.8577
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	patched family protein	0.0006	0.0023	0.007
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0071	0.0191
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.003	0.0075
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0071	0.0191
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0058	0.0191
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0243	0.1399
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Brugia malayi	Patched related family protein 4	0.0006	0.0023	0.007
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0007	0.0035	0.0189
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0305	0.105
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0071	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0071	0.0397
Toxoplasma gondii	patched family protein	0.0006	0.0023	0.0324
Trypanosoma brucei	trypanothione reductase	0.0047	0.0535	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0243	0.0834
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0152	0.2803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0071	0.128
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0473	0.1633
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0535	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0037	0.0074
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0007	0.0035	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Entamoeba histolytica	hypothetical protein	0.001	0.0071	0.0191
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.1719	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0138	0.1693	0.3369
Brugia malayi	topoisomerase	0.001	0.0071	0.0237
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0473	0.1633
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0237
Loa Loa (eye worm)	patched family protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0169	0.0576
Brugia malayi	Patched related family protein 10	0.0006	0.0023	0.007
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0305	0.105
Onchocerca volvulus		0.0006	0.0023	0.0369
Echinococcus multilocularis	protein patched	0.0042	0.0473	0.047
Echinococcus multilocularis	muscleblind protein	0.0147	0.18	0.1798
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0243	0.0672
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0035	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0243	0.0834
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0071	0.128
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0516	0.1783
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0071	0.0237
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.1286	0.7478
Schistosoma mansoni	serine/threonine protein kinase	0.0217	0.2688	0.5357
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0098	0.0331
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0007	0.0035	0.0113
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.1286	0.7478
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0037	0.0069
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0516	0.0513
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0547	0.1089
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.003	0.0075
Onchocerca volvulus		0.0007	0.0035	0.0595
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0007	0.0035	0.0113
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0152	0.0149
Onchocerca volvulus	Protein patched homolog	0.0006	0.0023	0.0369
Leishmania major	trypanothione reductase	0.0047	0.0535	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	glutamate synthase	0.0004	0.0003	0.0006
Brugia malayi	CHE-14 protein	0.0042	0.0473	0.1633
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0243	0.4509
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0071	0.0191
Onchocerca volvulus		0.0006	0.0023	0.0369
Toxoplasma gondii	propionate-CoA ligase	0.0007	0.0035	0.0522
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0071	0.1098
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0007	0.0035	0.0189
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0152	0.2803
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0243	0.4509
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0071	0.128
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0035	0.0608
Schistosoma mansoni	hypothetical protein	0.004	0.0454	0.0904
Onchocerca volvulus		0.0007	0.0035	0.0595
Echinococcus granulosus	cpg binding protein	0.003	0.0325	0.0643
Brugia malayi	Thioredoxin reductase	0.0047	0.0535	0.185
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0035	0.0189
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0071	0.128
Trichomonas vaginalis	helicase, putative	0.0006	0.003	0.0075
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.1435	0.8347
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Brugia malayi	Myosin head containing protein	0.0006	0.0023	0.007
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0.0035	0.0522
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0535	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0169	0.0966
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0007	0.0035	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0035	0.0608
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0035	0.0189
Brugia malayi	glutathione reductase	0.0047	0.0535	0.185
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.003	0.0075
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0152	0.2404
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0243	0.1399
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0152	0.0418
Schistosoma mansoni	glutamate synthase	0.0004	0.0003	0.0006
Schistosoma mansoni	DNA ligase IV	0.001	0.0071	0.0141
Brugia malayi	hypothetical protein	0.0006	0.0023	0.007
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0098	0.0331
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0152	0.0303
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0152	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.288	0.2878
Loa Loa (eye worm)	hypothetical protein	0.0051	0.059	0.2042
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0169	0.0576
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0169	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0473	0.1316
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Plasmodium falciparum	thioredoxin reductase	0.0016	0.0152	0.2803
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0217	0.2688	0.5354
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0071	0.0191
Toxoplasma gondii	patched family protein	0.0006	0.0023	0.0324
Brugia malayi	hypothetical protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	hypothetical protein	0.0147	0.18	0.6248
Echinococcus multilocularis	cpg binding protein	0.003	0.0325	0.0322
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.1286	0.7478
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0535	0.0532
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0035	0.007
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0007	0.0035	0.0189
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0007	0.0035	0.0091
Chlamydia trachomatis	DNA ligase	0.001	0.0071	0.4112
Loa Loa (eye worm)	hypothetical protein	0.0147	0.18	0.6248
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Plasmodium falciparum	lipid/sterol:H+ symporter	0.0006	0.0023	0.0378
Onchocerca volvulus		0.0028	0.0305	0.5553
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.1286	0.7478
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0516	0.1028
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Treponema pallidum	DNA ligase (lig)	0.001	0.0071	0.0191
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0071	0.0191
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0243	0.1399
Onchocerca volvulus		0.0007	0.0035	0.0595
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0243	0.0672
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0016	0.0152	0.2803
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0243	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Toxoplasma gondii	patched family protein	0.0006	0.0023	0.0324
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0035	0.0113
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0152	0.0297
Schistosoma mansoni	hypothetical protein	0.004	0.0454	0.0904
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.003	0.0075
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0473	0.0937
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.1435	0.8347
Schistosoma mansoni	cpg binding protein	0.003	0.0325	0.0648
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0243	0.1399
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0071	0.0136
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.1286	0.7478
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0071	0.0191
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0071	0.0141
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.1286	0.7478
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0243	0.0834
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0516	0.1028
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0547	0.1891
Schistosoma mansoni	topbp1	0.001	0.0071	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.1169	0.2325
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0535	0.1061
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0007	0.0035	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Brugia malayi	Patched related family protein 12	0.0006	0.0023	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0071	0.0191
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0243	0.1399
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0035	0.0189
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0112
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0035	0.0065
Brugia malayi	protein C24B5.3	0.0006	0.0023	0.007
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0473	0.047
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0152	0.2803
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0516	0.1023
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0152	0.2404
Echinococcus multilocularis	expressed conserved protein	0.0091	0.1095	0.1093
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0071	0.1098
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0547	0.0544
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0473	0.0937
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.1169	0.4054
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0169	0.3113
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0169	0.0576
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.3572	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0152	0.2803
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.003	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.1188	0.2367
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0016	0.0152	0.2803
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.1435	0.8347
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.288	0.5736
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Brugia malayi	Patched protein homolog 1	0.0006	0.0023	0.007
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0071	0.128
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0035	0.0189
Toxoplasma gondii	hypothetical protein	0.0006	0.0023	0.0324
Schistosoma mansoni	hypothetical protein	0.004	0.0454	0.0904
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0152	1
Brugia malayi	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	hypothetical protein	0.0047	0.0547	0.1089
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0007	0.0035	0.0189
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0243	0.1399
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0016	0.0152	0.2803
Onchocerca volvulus		0.0006	0.0023	0.0369
Onchocerca volvulus		0.0023	0.0243	0.4412
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0035	0.0189
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0152	0.2803
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Brugia malayi	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	topbp1	0.001	0.0071	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.3572	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0035	0.0608
Onchocerca volvulus		0.0006	0.0023	0.0369
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0035	0.0608
Schistosoma mansoni	sulfide quinone reductase	0.0004	0.0003	0.0006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0516	0.0513
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0071	0.0191
Echinococcus granulosus	nibrin	0.001	0.0071	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0233	0.288	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Brugia malayi	Muscleblind-like protein	0.0147	0.18	0.6248
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.003	0.0075
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0037	0.0035
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0157	0.0896
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0071	0.0068
Brugia malayi	protein C24B5.3	0.0006	0.0023	0.007
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0071	0.4566
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	cpg binding protein	0.0028	0.0305	0.0608
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0071	0.128
Onchocerca volvulus		0.001	0.0071	0.1252
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0035	0.0091
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Plasmodium vivax	patched family protein, putative	0.0006	0.0023	0.0378
Loa Loa (eye worm)	patched family protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0023	0.007
Schistosoma mansoni	cpg binding protein	0.003	0.0325	0.0648
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0035	0.0608
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0035	0.0189
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0152	0.2803
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.3572	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0516	0.1028
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0237
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0152	0.2803
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0035	0.0091
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0535	0.185
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.0152	0.087
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0037	0.0035
Echinococcus granulosus	dnaJ subfamily B	0.0402	0.5019	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0035	0.0189
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.003	0.0075
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0243	0.1399
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0035	0.0189
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0535	0.185
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0157	0.0896
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0152	0.2803
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.1169	0.3268
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.003	0.0075
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0152	0.2803
Schistosoma mansoni	disulfide oxidoreductase	0.0004	0.0003	0.0006
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0071	0.0237
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0007	0.0035	0.0189
Onchocerca volvulus		0.0006	0.0023	0.0369
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0035	0.0113
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0169	0.3113
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0.0035	0.0522
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0535	0.3102
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0035	0.0113
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3572	1
Brugia malayi	Patched family protein	0.0006	0.0023	0.007
Loa Loa (eye worm)	patched family protein	0.0006	0.0023	0.007
Schistosoma mansoni	hypothetical protein	0.004	0.0454	0.0904

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.04 uM	Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis	ChEMBL.	20591669
IC50 (functional)	= 0.4 uM	Inhibition of LPS-induced TNFalpha production in human PBMC preincubated for 30 mins measured after 3 hrs of LPS stimulation	ChEMBL.	20591669
IC50 (binding)	= 1.7 uM	Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis	ChEMBL.	20591669

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20591669

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: CHEMBL1801195

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1083312