TDR Targets

Basic information

Technical information

TDR Targets ID: 502028
Name: 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-me thyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2 ,4]triazine-6-carboxamide
MW: 445.474 | Formula: C23H23N7O3
H donors: 3 H acceptors: 5 LogP: 2.08 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CONC(=O)c1ccc(c(c1)Nc1ncnn2c1c(C)c(c2)C(=O)NCc1ccccn1)C
InChi: 1S/C23H23N7O3/c1-14-7-8-16(22(31)29-33-3)10-19(14)28-21-20-15(2)18(12-30(20)27-13-26-21)23(32)25-11-17-6-4-5-9-24-17/h4-10,12-13H,11H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
InChiKey: GDOSRZXBGAPVRD-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

4-[5-(methoxycarbamoyl)-2-methyl-anilino]-5-methyl-N-(2-pyridylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
4-[5-[(methoxyamino)-oxomethyl]-2-methylanilino]-5-methyl-N-(2-pyridylmethyl)-6-pyrrolo[2,1-f][1,2,4]triazinecarboxamide
4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
4-[[5-(methoxycarbamoyl)-2-methylphenyl]amino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-N-(2-pyridylmethyl)pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide
4-[[5-[(methoxyamino)-oxomethyl]-2-methylphenyl]amino]-5-methyl-N-(2-pyridylmethyl)-6-pyrrolo[5,1-f][1,2,4]triazinecarboxamide
4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[5,1-f][1,2,4]triazine-6-carboxamide

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 congolense	mitogen-activated protein kinase 3, putative	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
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
Leishmania infantum	mitogen-activated protein kinase 3, putative,map 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
Brugia malayi	P38 map kinase family protein 2	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 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
Echinococcus granulosus	mitogen activated protein kinase 11	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
Echinococcus multilocularis	mitogen activated protein kinase 11	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 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
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein 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 major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Furin 1	0.0009	0.0184	0.0314
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0009	0.0184	0.0184
Brugia malayi	MH1 domain containing protein	0.0004	0.0031	0.0031
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0208	0.0208
Schistosoma mansoni	hypothetical protein	0.0009	0.0208	0.0208
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0902	1
Brugia malayi	neuroendocrine convertase 1 precursor	0.0009	0.0184	0.0184
Brugia malayi	jmjC domain containing protein	0.0035	0.1119	0.1119
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Loa Loa (eye worm)	proprotein convertase 2	0.0009	0.0184	0.0184
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0208	0.0208
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0009	0.0184	0.0314
Brugia malayi	MH1 domain containing protein	0.0008	0.0159	0.0159
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0159	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1489	0.2539
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.5312	0.9058
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.1144	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1144	0.195
Brugia malayi	celfurPC protein	0.0009	0.0184	0.0184
Toxoplasma gondii	PHD-finger domain-containing protein	0.0009	0.0208	0.0337
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Brugia malayi	endoprotease bli-4 precursor	0.0009	0.0184	0.0184
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.5312	0.9058
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0009	0.0184	0.5
Echinococcus multilocularis	calcium activated potassium channel	0.0004	0.0004	0.0006
Brugia malayi	Smad1	0.0008	0.0159	0.0159
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0009	0.0204	0.0348
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0009	0.0204	0.0039
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.056	0.0733
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0009	0.0184	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.5312	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0159	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1144	0.195
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0159	0.0159
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0429	0.0732
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0184	0.5
Echinococcus granulosus	furin	0.0009	0.0184	0.0314
Schistosoma mansoni	hypothetical protein	0.0168	0.5864	0.5864
Leishmania major	hypothetical protein, conserved	0.0019	0.056	0.0733
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.056	0.0733
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1489	0.1489
Echinococcus multilocularis	Smad4	0.0008	0.0159	0.0271
Entamoeba histolytica	hypothetical protein	0.0036	0.1144	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0902	1
Loa Loa (eye worm)	subtilase	0.0283	1	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0009	0.0204	0.0348
Brugia malayi	MH2 domain containing protein	0.0118	0.4093	0.4093
Echinococcus multilocularis	peregrin	0.0029	0.0902	0.1539
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1634	0.1634
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0902	0.1539
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0159	0.0159
Schistosoma mansoni	furin-1 (S08 family)	0.0009	0.0184	0.0184
Giardia lamblia	PHD finger protein 15	0.0029	0.0902	0.5
Brugia malayi	Bromodomain containing protein	0.0029	0.0902	0.0902
Schistosoma mansoni	hypothetical protein	0.0029	0.0902	0.0902
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1144	0.1144
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.5312	0.9058
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1634	0.1634
Echinococcus multilocularis	neuroendocrine convertase 2	0.0009	0.0184	0.0314
Schistosoma mansoni	hypothetical protein	0.0034	0.1077	0.1077
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0009	0.0184	0.5
Schistosoma mansoni	phosphatidylserine receptor	0.0009	0.0204	0.0204
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0009	0.0184	0.0184
Brugia malayi	jmjC domain containing protein	0.0094	0.3248	0.3248
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0429	0.0429
Echinococcus granulosus	Furin 1	0.0009	0.0184	0.0314
Schistosoma mansoni	hypothetical protein	0.0016	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0184	0.0184
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0009	0.0204	0.0278
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.2	0.2
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.5312	0.9058
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Schistosoma mansoni	hypothetical protein	0.0036	0.1144	0.1144
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1489	0.2539
Echinococcus granulosus	neuroendocrine convertase 2	0.0009	0.0184	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1077	0.1077
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0429	0.0732
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.1119	0.1119
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0009	0.0184	0.0184
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0009	0.0204	0.0278
Echinococcus multilocularis	phd:f box containing protein	0.0009	0.0204	0.0348
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0429	0.0732
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0429	0.0732
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.1119	0.1119
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.5312	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1639	0.1639
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0184	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0254	0.8947	0.8947
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0159	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Brugia malayi	hypothetical protein	0.0036	0.1144	0.1144
Echinococcus granulosus	calcium activated potassium channel	0.0004	0.0004	0.0006
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1634	0.1634
Echinococcus granulosus	jumonji domain containing 1A	0.0009	0.0204	0.0348
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0159	0.0159
Echinococcus granulosus	GPCR family 2	0.0016	0.0429	0.0732
Echinococcus granulosus	peregrin	0.0029	0.0902	0.1539
Brugia malayi	POT family protein	0.0168	0.5873	0.5873
Schistosoma mansoni	smad	0.0008	0.0159	0.0159
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Mycobacterium leprae	Possible secreted protease	0.0009	0.0184	0.5
Leishmania major	hypothetical protein, conserved	0.0009	0.0204	0.0039
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.2554	0.2554
Schistosoma mansoni	hypothetical protein	0.0016	0.0429	0.0429
Brugia malayi	MH2 domain containing protein	0.0008	0.0159	0.0159
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0009	0.0184	0.0184
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0009	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0204	0.0204
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.3248	0.5539
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1489	0.2539
Echinococcus multilocularis	geminin	0.0168	0.5864	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1489	0.1489
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0009	0.0184	0.5
Brugia malayi	jmjC domain containing protein	0.0009	0.0204	0.0204
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0429	0.0429
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0902	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0009	0.0204	0.0348
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.5312	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0159	0.0159
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Echinococcus granulosus	phd:f box containing protein	0.0009	0.0204	0.0348
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0009	0.0184	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.4093	0.4093
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0009	0.0184	0.0314
Loa Loa (eye worm)	jmjC domain-containing protein	0.0009	0.0204	0.0204
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.1119	0.1119
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0184	0.5
Brugia malayi	P38 map kinase family protein 2	0.0152	0.5312	0.5312
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0009	0.0184	0.0314
Echinococcus multilocularis	smad	0.0008	0.0159	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0204	0.0204
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.1119	0.1909
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0184	0.0184
Onchocerca volvulus		0.0009	0.0184	0.2042
Loa Loa (eye worm)	Smad1	0.0008	0.0159	0.0159
Brugia malayi	jmjC domain containing protein	0.0009	0.0204	0.0204
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1634	0.1634
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0009	0.0184	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.4093	0.4093
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.1306	0.2228
Schistosoma mansoni	Smad4	0.0008	0.0159	0.0159
Echinococcus granulosus	geminin	0.0168	0.5864	1
Brugia malayi	follicle stimulating hormone receptor	0.0254	0.8947	0.8947
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0159	0.0159
Schistosoma mansoni	jumonji domain containing protein	0.0009	0.0204	0.0204
Echinococcus granulosus	jumonji domain containing protein	0.004	0.1306	0.2228
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0009	0.0184	0.0184
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0009	0.0204	0.0278
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0283	1	1
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0009	0.0184	0.5
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0902	0.1539
Loa Loa (eye worm)	POT family protein	0.0168	0.5873	0.5873
Brugia malayi	PHD-finger family protein	0.0009	0.0208	0.0208
Echinococcus granulosus	membrane bound transcription factor site 1	0.0009	0.0184	0.0314
Loa Loa (eye worm)	jmjC domain-containing protein	0.0009	0.0204	0.0204
Loa Loa (eye worm)	jmjC domain-containing protein	0.0009	0.0204	0.0204
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0009	0.0184	0.5
Echinococcus multilocularis	lysine specific demethylase 6a	0.0009	0.0204	0.0348
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.5312	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1489	0.1489
Echinococcus multilocularis		0.0009	0.0184	0.0314
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0429	0.0429
Echinococcus granulosus	JmjC domain containing protein 4	0.0009	0.0204	0.0348
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.0208	0.0337
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Plasmodium vivax	JmjC domain containing protein	0.0009	0.0204	0.0278
Brugia malayi	jmjC domain containing protein	0.0009	0.0204	0.0204
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0184	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0902	0.0902
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0009	0.0208	0.0337
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0159	0.0159
Schistosoma mansoni	protein phosphatase 2C	0.0009	0.0204	0.0204
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0009	0.0208	0.0047
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1489	0.1489
Echinococcus granulosus	smad	0.0008	0.0159	0.0271
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0009	0.0184	0.0184
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0902	0.0902
Brugia malayi	jmjC domain containing protein	0.0009	0.0204	0.0204
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1489	0.2539
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0429	0.0429
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0009	0.0204	0.0039
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.3248	0.5539
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0009	0.0184	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0429	0.0429
Entamoeba histolytica	hypothetical protein	0.0036	0.1144	0.5
Schistosoma mansoni	hypothetical protein	0.0168	0.5864	0.5864
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.5312	0.5312
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0429	0.0732
Entamoeba histolytica	hypothetical protein	0.0036	0.1144	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0159	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Brugia malayi	MH1 domain containing protein	0.0004	0.0031	0.0031
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1077	0.1077
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0429	0.0429
Brugia malayi	proprotein convertase 2	0.0009	0.0184	0.0184
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.1119	0.1909
Loa Loa (eye worm)	endoprotease bli-4	0.0009	0.0184	0.0184
Brugia malayi	AF-10 protein	0.0009	0.0208	0.0208
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.5312	0.9058
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0009	0.0184	0.5
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0009	0.0184	0.0184
Schistosoma mansoni	phd/f-box containing protein	0.0009	0.0204	0.0204
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0902	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0031	0.0031
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1489	0.1489
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0106	0.3664	0.6248
Echinococcus multilocularis	jumonji domain containing 1A	0.0009	0.0204	0.0348
Brugia malayi	PHD-finger family protein	0.0029	0.0902	0.0902
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0106	0.3664	0.6248
Loa Loa (eye worm)	nuclear factor I	0.0004	0.0031	0.0031
Onchocerca volvulus	Alhambra homolog	0.0029	0.0902	1
Echinococcus granulosus	lysine specific demethylase 6a	0.0009	0.0204	0.0348
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0184	0.5
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0009	0.0204	0.0039
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.5312	0.9058
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0009	0.0208	0.0337
Brugia malayi	MH2 domain containing protein	0.0008	0.0159	0.0159
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0208	0.0208
Echinococcus granulosus	Smad4	0.0008	0.0159	0.0271
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0902	1
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0009	0.0208	0.0047

Activities

Activity type	Activity value	Assay description	Source	Reference
AUC (ADMET)	= 2.8 uM.hr	AUC (0 to 4 hrs) in rat at 10 mg/kg, po	ChEMBL.	18072718
Cp (ADMET)	= 3.4 uM	Drug level in rat plasma at 10 mg/kg, po after 0.5 hrs	ChEMBL.	18072718
IC50 (binding)	= 1.2 nM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18072718
IC50 (binding)	= 1.2 nM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18072718
IC50 (functional)	= 2.4 nM	Inhibition of LPS-induced TNFalpha production in human PBMCs	ChEMBL.	18072718
IC50 (functional)	= 2.4 nM	Inhibition of LPS-induced TNFalpha production in human PBMCs	ChEMBL.	18072718
Inhibition (functional)	= 62 %	Inhibition of LPS-induced TNFalpha in BALB/c mouse at 2 mg/kg, po dosed 120 mins prior to LPS challenge relative to control	ChEMBL.	18072718
Inhibition (functional)	= 62 %	Inhibition of LPS-induced TNFalpha in BALB/c mouse at 2 mg/kg, po dosed 120 mins prior to LPS challenge relative to control	ChEMBL.	18072718

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18072718

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: CHEMBL252533
PubChem: 10114460

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 502028