TDR Targets

Basic information

Technical information

TDR Targets ID: 1489856
Name: 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3- yl)amino]phthalazin-1-one
MW: 331.371 | Formula: C19H17N5O
H donors: 2 H acceptors: 2 LogP: 3.21 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)n1nc(Nc2n[nH]c(c2)C)c2c(c1=O)cccc2
InChi: 1S/C19H17N5O/c1-12-7-9-14(10-8-12)24-19(25)16-6-4-3-5-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23)
InChiKey: RADYPHHNLDAXRN-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-phthalazinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aurora kinase A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine kinase 12	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Neospora caninum	hypothetical protein	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	putative protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma cruzi	aurora B kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08850 aurora kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	Aurora I-related kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	Serine/threonine-protein kinase 12, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Toxoplasma gondii	aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium parvum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium vivax	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium hominis	protein kinase (EC 2.7.1.-) p46XlEg22	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma congolense	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium falciparum	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania major	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium berghei	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0031	0.0055
Echinococcus granulosus	ankyrin repeat domain containing protein 17	0.002	0.0004	0.0004
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0016	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0863	0.2658	0.3867
Echinococcus granulosus	geminin	0.0165	0.0458	0.0458
Brugia malayi	Pax transcription factor protein 2	0.0234	0.0676	0.0984
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0993	0.3067	0.4463
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.0325	0.0325
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.1179	0.3652	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0084	0.0401
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0016	0.0029
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0084	0.015
Leishmania major	trypanothione reductase	0.0046	0.0084	0.0401
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0275	0.0806	0.1173
Loa Loa (eye worm)	aminopeptidase in chromosome V	0.002	0.0004	0.0005
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0084	0.0121
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0034	0.0046	0.022
Loa Loa (eye worm)	reprolysin	0.0101	0.0259	0.0376
Echinococcus granulosus	leucine aminopeptidase protein	0.0103	0.0262	0.0262
Brugia malayi	Hemopexin family protein	0.1023	0.316	0.4598
Loa Loa (eye worm)	aminopeptidase in chromosome III	0.002	0.0004	0.0005
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0044	0.0064
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Echinococcus multilocularis	geminin	0.0165	0.0458	0.0458
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0084	0.0084
Echinococcus granulosus	lamin	0.0026	0.0022	0.0022
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0068	0.0154	0.0246
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.0306	0.0403
Entamoeba histolytica	hypothetical protein	0.0035	0.0049	0.3214
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.0325	0.0325
Echinococcus granulosus	lamin dm0	0.0026	0.0022	0.0022
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.0306	0.0082
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0101	0.0259	0.0708
Onchocerca volvulus		0.0115	0.0302	0.0415
Schistosoma mansoni	hypothetical protein	0.0165	0.0458	0.1254
Brugia malayi	angiogenesis inhibito	0.0116	0.0305	0.0445
Mycobacterium ulcerans	peptide deformylase	0.1795	0.5592	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0092	0.0134
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0068	0.0154	0.0275
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0084	0.0121
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0154	0.0421
Onchocerca volvulus		0.023	0.0664	0.0951
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.0576	0.0839
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0022	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0265	0.0385
Chlamydia trachomatis	peptide deformylase	0.1795	0.5592	1
Brugia malayi	hypothetical protein	0.0034	0.0046	0.0067
Echinococcus multilocularis	lamin	0.0026	0.0022	0.0022
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0084	0.015
Loa Loa (eye worm)	matrixin family protein	0.1857	0.5785	0.8418
Toxoplasma gondii	hypothetical protein	0.1795	0.5592	1
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0353	0.105	0.1528
Brugia malayi	Peptidase family M1 containing protein	0.0115	0.0302	0.044
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.0269	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0024	0.0035
Schistosoma mansoni	hypothetical protein	0.1023	0.316	0.8652
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0068	0.0154	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.0269	0.0337
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0685	0.2096	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0275	0.0806	0.2208
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0092	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.003
Mycobacterium ulcerans	hydrolase	0.0993	0.3067	0.5447
Loa Loa (eye worm)	hypothetical protein	0.0203	0.058	0.0844
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0034	0.0046	0.0126
Entamoeba histolytica	hypothetical protein	0.0035	0.0049	0.3214
Brugia malayi	Peptidase family M1 containing protein	0.0034	0.0046	0.0067
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0067	0.0151	0.0412
Entamoeba histolytica	protein kinase domain containing protein	0.0068	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0806	0.1173
Schistosoma mansoni	hypothetical protein	0.0072	0.0166	0.0454
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0034	0.0046	0.022
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0788	0.2421	0.2421
Schistosoma mansoni	hypothetical protein	0.0035	0.0049	0.0135
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0068	0.0154	0.0154
Echinococcus multilocularis	endothelin converting enzyme 1	0.0275	0.0806	0.0806
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Entamoeba histolytica	protein kinase , putative	0.0068	0.0154	1
Onchocerca volvulus	Matrilysin homolog	0.0863	0.2658	0.39
Schistosoma mansoni	hypothetical protein	0.0033	0.0044	0.0119
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0031	0.0031
Echinococcus granulosus	aminopeptidase N	0.0115	0.0302	0.0302
Brugia malayi	peptidase family M13 containing protein	0.0067	0.0151	0.0219
Echinococcus granulosus	intermediate filament protein	0.0026	0.0022	0.0022
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0685	0.2096	1
Loa Loa (eye worm)	hypothetical protein	0.0863	0.2658	0.3867
Trypanosoma brucei	Aminopeptidase M1, putative	0.0034	0.0046	0.022
Loa Loa (eye worm)	hypothetical protein	0.0203	0.058	0.0844
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.1795	0.5592	1
Plasmodium falciparum	M17 leucyl aminopeptidase	0.0103	0.0262	0.0469
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0067	0.0151	0.0412
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0034	0.0046	0.0046
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0031	0.0084
Onchocerca volvulus	Papilin homolog	0.0063	0.0137	0.017
Loa Loa (eye worm)	pax transcription factor protein 2	0.0234	0.0676	0.0984
Echinococcus multilocularis	aminopeptidase N	0.0115	0.0302	0.0302
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0436	0.1311	0.1311
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0067	0.0151	0.0412
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0275	0.0806	0.1311
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0092	0.0134
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0469	0.1415	0.1415
Schistosoma mansoni	hypothetical protein	0.0072	0.0166	0.0454
Onchocerca volvulus		0.1023	0.316	0.4644
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0154	0.2316
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0092	0.0134
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.0356	0.0974
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.1795	0.5592	1
Brugia malayi	Matrixin family protein	0.0863	0.2658	0.3867
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0049	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0595	0.0866
Brugia malayi	serine/threonine protein kinase 6	0.0068	0.0154	0.0224
Schistosoma mansoni	lamin	0.0026	0.0022	0.006
Schistosoma mansoni	hypothetical protein	0.0072	0.0166	0.0454
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0031	0.0084
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0139	0.0377	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0993	0.3067	0.4463
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0434	0.1306	0.3577
Toxoplasma gondii	peptidase family M13 protein	0.0275	0.0806	0.1442
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0203	0.058	0.0844
Loa Loa (eye worm)	AUR protein kinase	0.0068	0.0154	0.0224
Loa Loa (eye worm)	matrix metalloproteinase	0.0863	0.2658	0.3867
Mycobacterium leprae	probable zinc metalloprotease	0.0275	0.0806	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0595	0.0866
Plasmodium falciparum	peptide deformylase	0.1795	0.5592	1
Echinococcus granulosus	leucyl aminopeptidase	0.002	0.0004	0.0004
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0993	0.3067	0.5415
Entamoeba histolytica	aminopeptidase, putative	0.0034	0.0046	0.2999
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0084	0.0122
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Echinococcus multilocularis	musashi	0.0026	0.0022	0.0022
Brugia malayi	Matrixin family protein	0.0863	0.2658	0.3867
Echinococcus granulosus	disintegrin and metalloproteinase	0.0074	0.0174	0.0174
Trypanosoma brucei	trypanothione reductase	0.0046	0.0084	0.0401
Onchocerca volvulus	Matrix metalloproteinase homolog	0.1857	0.5785	0.8529
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0016	0.0079
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0747	0.2291	0.6274
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0009	0.0012
Schistosoma mansoni	leucine aminopeptidase	0.002	0.0004	0.001
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0034	0.0046	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0806	0.1173
Plasmodium vivax	peptide deformylase, putative	0.1795	0.5592	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0101	0.0259	0.0259
Schistosoma mansoni	PwLAP aminopeptidase (M17 family)	0.002	0.0004	0.001
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.0306	0.0403
Leishmania major	protein kinase, putative	0.0068	0.0154	0.0734
Echinococcus multilocularis	leucyl aminopeptidase	0.002	0.0004	0.0004
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.1795	0.5592	1
Toxoplasma gondii	leucyl aminopeptidase LAP	0.0103	0.0262	0.0469
Echinococcus multilocularis	adam	0.0187	0.0527	0.0527
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.0356	0.0974
Loa Loa (eye worm)	AUR protein kinase	0.0068	0.0154	0.0224
Plasmodium vivax	SET domain protein, putative	0.0029	0.0031	0.0025
Brugia malayi	Aminopeptidase W07G4.4 in chromosome V	0.002	0.0004	0.0005
Schistosoma mansoni	lamin	0.0026	0.0022	0.006
Giardia lamblia	Aurora kinase	0.0068	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0195	0.0284
Schistosoma mansoni	hypothetical protein	0.0122	0.0325	0.0889
Brugia malayi	Pre-SET motif family protein	0.0202	0.0576	0.0839
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0187	0.0527	0.1444
Loa Loa (eye worm)	matrixin family protein	0.2202	0.6872	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0595	0.0866
Trichomonas vaginalis	set domain proteins, putative	0.023	0.0664	1
Brugia malayi	hypothetical protein	0.0187	0.0527	0.0767
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.0269	0.0013
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0101	0.0259	0.0259
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0139	0.0377	0.1032
Echinococcus granulosus	adam	0.0187	0.0527	0.0527
Trypanosoma brucei	aminopeptidase, putative	0.002	0.0004	0.0018
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0016	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0203	0.058	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0137	0.0199
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0154	0.2316
Trypanosoma brucei	Peptide deformylase 2	0.0685	0.2096	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0595	0.0866
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0049	0.0049
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Echinococcus granulosus	leucyl aminopeptidase	0.002	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.157	0.4882	0.7103
Brugia malayi	Aminopeptidase ZK353.6 in chromosome III	0.002	0.0004	0.0005
Onchocerca volvulus		0.0029	0.0031	0.0013
Onchocerca volvulus		0.0863	0.2658	0.39
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0034	0.0046	0.022
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0031	0.0084
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0022	0.006
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17, putative	0.0103	0.0262	0.1251
Echinococcus granulosus	expressed protein	0.0363	0.1082	0.1082
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0016	0.0079
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0436	0.1311	0.1311
Echinococcus multilocularis	leucyl aminopeptidase	0.002	0.0004	0.0004
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0072	0.0166	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0203	0.058	0.0844
Brugia malayi	Matrixin family protein	0.0863	0.2658	0.3867
Leishmania major	hypothetical protein, conserved	0.0024	0.0016	0.0079
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Brugia malayi	Peptidase family M13 containing protein	0.0275	0.0806	0.1173
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0436	0.1311	0.359
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0067	0.0151	0.0412
Trypanosoma cruzi	cytosolic leucyl aminopeptidase, putative	0.0103	0.0262	0.1251
Trypanosoma brucei	aurora B kinase	0.0068	0.0154	0.0734
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0139	0.0377	0.1032
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.0269	0.0337
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0027	0.0027
Brugia malayi	hypothetical protein	0.0024	0.0016	0.0024
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Schistosoma mansoni	hypothetical protein	0.0165	0.0458	0.1254
Trypanosoma brucei	Aminopeptidase M1, putative	0.0034	0.0046	0.022
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0016	0.0024
Onchocerca volvulus		0.0034	0.0046	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0259	0.0376
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.0103	0.0262	0.0441
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0084	0.0122
Schistosoma mansoni	protein kinase	0.0068	0.0154	0.0421
Brugia malayi	serine/threonine kinase 12	0.0068	0.0154	0.0224
Onchocerca volvulus		0.0136	0.0369	0.0514
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17	0.002	0.0004	0.0018
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.0103	0.0262	0.0324
Brugia malayi	metalloprotease	0.0027	0.0024	0.0035
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0034	0.0046	0.022
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0093	0.0233	0.0339
Echinococcus multilocularis	aurora kinase A	0.0068	0.0154	0.0154
Schistosoma mansoni	hypothetical protein	0.0072	0.0166	0.0454
Brugia malayi	Reprolysin	0.0027	0.0024	0.0035
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0031	0.0084
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0034	0.0046	0.0126
Echinococcus granulosus	aurora kinase A	0.0068	0.0154	0.0154
Trypanosoma brucei	Polypeptide deformylase 1	0.0685	0.2096	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0595	0.0866
Plasmodium falciparum	glutathione reductase	0.0046	0.0084	0.015
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0154	0.2316
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.002	0.0004	0.0005
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.0269	0.0337
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0685	0.2096	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0166	0.0454
Echinococcus multilocularis	leucine aminopeptidase protein	0.0103	0.0262	0.0262
Brugia malayi	intermediate filament protein	0.0026	0.0022	0.0032
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0022	0.0032
Mycobacterium leprae	PROBABLE HYDROLASE	0.0993	0.3067	0.5262
Leishmania major	cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17	0.0103	0.0262	0.1251
Echinococcus granulosus	endothelin converting enzyme 1	0.0275	0.0806	0.0806
Loa Loa (eye worm)	hypothetical protein	0.1179	0.3652	0.5314
Mycobacterium tuberculosis	Probable reductase	0.0105	0.0269	0.0337
Schistosoma mansoni	endothelin-converting enzyme-related	0.0067	0.0151	0.0412
Brugia malayi	ADAMTS-like protease	0.0116	0.0305	0.0445
Mycobacterium ulcerans	zinc metalloprotease	0.0275	0.0806	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0806	0.1173
Brugia malayi	Thioredoxin reductase	0.0046	0.0084	0.0122
Loa Loa (eye worm)	aminopeptidase N	0.0034	0.0046	0.0067
Brugia malayi	Disintegrin family protein	0.0074	0.0174	0.0253
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0022	0.0009	0.0024
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0595	0.0866
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0469	0.1415	0.1415
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0084	0.0084
Echinococcus multilocularis	lamin dm0	0.0026	0.0022	0.0022
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0139	0.0377	0.1032
Schistosoma mansoni	hypothetical protein	0.0072	0.0166	0.0454
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.000000000027625	0.0000000000494
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0046	0.0046
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.3195	1	1
Echinococcus multilocularis	leucyl aminopeptidase	0.002	0.0004	0.0004
Onchocerca volvulus		0.0234	0.0676	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0045
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0203	0.058	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0022	0.0032
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0154	0.2316
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0034	0.0046	0.0695
Brugia malayi	Matrixin family protein	0.0863	0.2658	0.3867
Trypanosoma cruzi	aminopeptidase, putative	0.0034	0.0046	0.022
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0009	0.0012
Brugia malayi	hypothetical protein	0.0035	0.0049	0.0072
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0068	0.0154	0.0154
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0016	0.0029
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0034	0.0046	0.022
Schistosoma mansoni	neprilysin	0.0072	0.0166	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0293	0.0426
Brugia malayi	cytosol aminopeptidase	0.002	0.0004	0.0005
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0103	0.0262	0.1251
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.0269	0.0337
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0074	0.0174	0.0174
Toxoplasma gondii	aurora kinase	0.0068	0.0154	0.0275
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.0306	0.0403
Treponema pallidum	polypeptide deformylase (def)	0.1795	0.5592	0.5
Loa Loa (eye worm)	metalloprotease	0.0027	0.0024	0.0035
Schistosoma mansoni	ADAMTS14 peptidase (M12 family)	0.0027	0.0024	0.0066
Entamoeba histolytica	protein kinase, putative	0.0068	0.0154	1
Brugia malayi	glutathione reductase	0.0046	0.0084	0.0122
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0067	0.0151	0.0412
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0022	0.0009	0.0041
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0022	0.0032
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0101	0.0259	0.0708
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0068	0.0154	1
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0139	0.0377	0.1032
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0685	0.2096	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0044	0.0064
Echinococcus granulosus	adam 17 protease	0.0821	0.2526	0.2526
Brugia malayi	Pre-SET motif family protein	0.0029	0.0031	0.0045
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0031	0.0031
Entamoeba histolytica	protein kinase, putative	0.0068	0.0154	1
Onchocerca volvulus	Matrilysin homolog	0.2172	0.678	1
Loa Loa (eye worm)	angiogenesis inhibito	0.0031	0.0037	0.0053
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0049	0.0049
Echinococcus multilocularis	expressed protein	0.0363	0.1082	0.1082
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.0356	0.0356
Brugia malayi	Matrixin family protein	0.2202	0.6872	1
Loa Loa (eye worm)	AUR protein kinase	0.0068	0.0154	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0208	0.0303
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0254	0.0739	0.1075
Entamoeba histolytica	hypothetical protein	0.0035	0.0049	0.3214
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0067	0.0151	0.0219
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0022	0.0009	0.0009
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0068	0.0154	1
Schistosoma mansoni	dihydroceramide desaturase	0.0074	0.0174	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0369	0.0537
Brugia malayi	serine/threonine-protein kinase 6	0.0068	0.0154	0.0224
Entamoeba histolytica	hypothetical protein	0.0035	0.0049	0.3214
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0739	0.1075
Trypanosoma cruzi	aurora B kinase, putative	0.0068	0.0154	0.0734
Mycobacterium ulcerans	leucyl aminopeptidase	0.0103	0.0262	0.039
Echinococcus multilocularis	adam 17 protease	0.0747	0.2291	0.2291
Leishmania major	polypeptide deformylase-like protein, putative	0.0685	0.2096	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.023 uM	Inhibition of Aurora A by ELISA	ChEMBL.	21128645
IC50 (functional)	= 0.24 uM	Cytotoxicity against human HCT116 cells after 5 days by celltiter-glo assay	ChEMBL.	21128645
IC50 (functional)	= 3.6 uM	Cytotoxicity against human COLO205 cells	ChEMBL.	21128645
IC50 (functional)	> 30 uM	Cytotoxicity against human MCF7 cells	ChEMBL.	21128645
IC50 (binding)	> 100 uM	Inhibition of Aurora B by ELISA	ChEMBL.	21128645

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21128645

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: CHEMBL1651470

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1489856