TDR Targets

Basic information

Technical information

TDR Targets ID: 1205318
Name: N,N-dimethyl-4-(4-methylaminoquinazolin-2-yl) benzamide
MW: 306.362 | Formula: C18H18N4O
H donors: 1 H acceptors: 3 LogP: 2.98 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nc(nc2c1cccc2)c1ccc(cc1)C(=O)N(C)C
InChi: 1S/C18H18N4O/c1-19-17-14-6-4-5-7-15(14)20-16(21-17)12-8-10-13(11-9-12)18(23)22(2)3/h4-11H,1-3H3,(H,19,20,21)
InChiKey: AYYZPYQDRGLVLE-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

N,N-dimethyl-4-(4-methylamino-2-quinazolinyl)benzamide
NCGC00010101
PCOP-36907

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	CDC-like kinase 4	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania mexicana		Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma congolense	kinetoplastid kinetochore protein, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei	kinetoplastid kinetochore protein 10	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus granulosus	dual specificity protein kinase clk2	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus multilocularis	dual specificity protein kinase clk2	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma congolense	kinetoplastid kinetochore protein, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Theileria parva	serine/threonine protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	Serine/threonine-protein kinase Doa, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126990	All targets in OG5_126990
Loa Loa (eye worm)	CMGC/CLK protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	expressed protein	Get druggable targets OG5_126990	All targets in OG5_126990
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Babesia bovis	protein serine/threonine kinase 1	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus granulosus	hypothetical protein	Get druggable targets OG5_126990	All targets in OG5_126990
Cryptosporidium hominis	serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania major	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Candida albicans	Serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium berghei	serine/threonine kinase-1, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Giardia lamblia	Kinase, CMGC CLK	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	ko:K08823 CDC-like kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei	kinetoplastid kinetochore protein 19	Get druggable targets OG5_126990	All targets in OG5_126990
Cryptosporidium parvum	serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium falciparum	protein serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Plasmodium yoelii	protein serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium vivax	serine/threonine kinase-1, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Neospora caninum	hypothetical protein	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma congolense	kinetoplastid kinetochore protein 10, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus multilocularis		Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Plasmodium knowlesi	serine/threonine kinase-1, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Candida albicans	Serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania major	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.035	0.0494
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0205	0.2769	0.3513
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0267	0.0378
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0021	0.0057	0.0081
Trichomonas vaginalis	glucosylceramidase, putative	0.0381	0.5373	0.6704
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.035	0.0108
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0078	0.0901	0.1274
Loa Loa (eye worm)	hypothetical protein	0.006	0.0629	0.0797
Plasmodium vivax	SET domain protein, putative	0.0035	0.026	0.235
Echinococcus multilocularis	transfer RNA-Lys	0.0043	0.0389	0.0389
Echinococcus multilocularis	activated cdc42 kinase 1	0.0543	0.7754	0.7754
Schistosoma mansoni	serine/threonine protein kinase	0.0497	0.7073	0.7073
Brugia malayi	bHLH-PAS transcription factor	0.0043	0.0389	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2769	0.3513
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0156	0.0198
Echinococcus multilocularis	protein KINase family member (kin 25)	0.032	0.4471	0.4471
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0497	0.7073	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0267	0.2436
Echinococcus granulosus	lysosomal alpha glucosidase	0.0184	0.2459	0.2459
Echinococcus granulosus	mitogen activated protein kinase	0.0497	0.7073	0.7073
Loa Loa (eye worm)	cytochrome P450 family protein	0.004	0.034	0.0431
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0184	0.2459	0.312
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.0704	0.0893
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0497	0.7073	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0552	0.7883	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.035	0.0108
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.2459	0.2459
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0184	0.2459	0.312
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0267	0.0339
Trichomonas vaginalis	glucosylceramidase, putative	0.0552	0.7883	1
Brugia malayi	beta-NAC-like protein	0.0035	0.0267	0.0339
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0267	0.2436
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.035	0.0494
Leishmania major	cytochrome p450-like protein	0.0028	0.0156	0.0221
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.035	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0543	0.7754	0.9837
Leishmania major	protein kinase, putative	0.0021	0.0057	0.0081
Onchocerca volvulus	Glucosylceramidase homolog	0.0362	0.5085	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0816	0.1036
Mycobacterium ulcerans	putative regulatory protein	0.0043	0.0389	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.026	0.026
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0533	0.0533
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.017	0.4372
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0078	0.0901	0.1274
Trichomonas vaginalis	CMGC family protein kinase	0.0497	0.7073	0.8937
Entamoeba histolytica	hypothetical protein	0.0035	0.0267	0.542
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0078	0.0901	0.1274
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0267	0.0378
Brugia malayi	Pre-SET motif family protein	0.0242	0.3319	0.4211
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.0156	0.0198
Echinococcus multilocularis	GPCR, family 2	0.0065	0.0704	0.0704
Echinococcus multilocularis	neuropeptide receptor A26	0.0466	0.6618	0.6618
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2082	0.2082
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0629	0.0629
Echinococcus granulosus	cyclin g associated kinase	0.0084	0.0987	0.0987
Echinococcus granulosus	geminin	0.0171	0.2266	0.2266
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.035	0.0443
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0205	0.2769	0.3513
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.0704	0.0704
Trichomonas vaginalis	CMGC family protein kinase	0.0497	0.7073	0.8937
Leishmania major	protein kinase, putative	0.0078	0.0901	0.1274
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.026	0.026
Echinococcus granulosus	tumor protein p63	0.0408	0.5764	0.5764
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0021	0.0057	0.0081
Echinococcus multilocularis	neuropeptide s receptor	0.0466	0.6618	0.6618
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.035	0.0108
Schistosoma mansoni	hypothetical protein	0.0065	0.0704	0.0704
Echinococcus multilocularis	cyclin g associated kinase	0.0084	0.0987	0.0987
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.017	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0029	0.017	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0029	0.017	0.0216
Loa Loa (eye worm)	NAK/GAK protein kinase	0.0084	0.0987	0.1252
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0533	0.0533
Echinococcus multilocularis	tumor protein p63	0.0408	0.5764	0.5764
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0901	0.0901
Onchocerca volvulus		0.006	0.0629	0.0933
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0078	0.0901	0.1274
Leishmania major	protein kinase, putative	0.0021	0.0057	0.0081
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.035	0.0108
Loa Loa (eye worm)	camk/dcamkl protein kinase	0.0136	0.1755	0.2226
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.017	0.4372
Trichomonas vaginalis	glucosylceramidase, putative	0.0552	0.7883	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.017	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0533	0.0533
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.017	0.4372
Trichomonas vaginalis	CMGC family protein kinase	0.0497	0.7073	0.8937
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0078	0.0901	0.1274
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.3319	0.4211
Echinococcus multilocularis	mitogen activated protein kinase	0.0497	0.7073	0.7073
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0497	0.7073	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.035	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.2459	0.2459
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.0704	0.0704
Mycobacterium ulcerans	hypothetical protein	0.0029	0.017	0.4372
Schistosoma mansoni	hypothetical protein	0.0065	0.0704	0.0704
Onchocerca volvulus		0.0106	0.1316	0.2332
Echinococcus granulosus	neuropeptide receptor A26	0.0466	0.6618	0.6618
Trichomonas vaginalis	glucosylceramidase, putative	0.0552	0.7883	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0063	0.3726
Brugia malayi	Pre-SET motif family protein	0.0035	0.026	0.033
Schistosoma mansoni	hypothetical protein	0.0065	0.0704	0.0704
Brugia malayi	Protein kinase domain containing protein	0.0543	0.7754	0.9837
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0533	0.0533
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.035	0.0108
Echinococcus granulosus	mitogen activated protein kinase 3	0.0497	0.7073	0.7073
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0078	0.0901	0.1274
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0497	0.7073	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0063	0.008
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0533	0.0676
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2082	0.2082
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.035	0.035
Echinococcus multilocularis	geminin	0.0171	0.2266	0.2266
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0046	0.2713
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Onchocerca volvulus		0.0035	0.026	0.0183
Trichomonas vaginalis	glucosylceramidase, putative	0.0552	0.7883	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.017	0.4372
Loa Loa (eye worm)	hypothetical protein	0.0029	0.017	0.0216
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0046	0.2713
Loa Loa (eye worm)	hypothetical protein	0.0197	0.2654	0.3367
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0029	0.017	1
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0267	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0539	0.7692	0.9758
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0497	0.7073	0.7073
Brugia malayi	hypothetical protein	0.0197	0.2654	0.3367
Brugia malayi	Protein kinase domain containing protein	0.0078	0.0901	0.1143
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0078	0.0901	0.1143
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0205	0.2769	0.3513
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.035	0.035
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.0704	0.0704
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.026	0.026
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0182	0.2429	0.3081
Plasmodium falciparum	protein serine/threonine kinase-1	0.0078	0.0901	1
Echinococcus multilocularis		0.0072	0.0816	0.0816
Schistosoma mansoni	hypothetical protein	0.0171	0.2266	0.2266
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0497	0.7073	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.026	0.033
Schistosoma mansoni	alpha glucosidase	0.0041	0.035	0.035
Loa Loa (eye worm)	hypothetical protein	0.0316	0.4409	0.5594
Brugia malayi	hypoxia-induced factor 1	0.0182	0.2429	0.3081
Schistosoma mansoni	aryl hydrocarbon receptor	0.0059	0.0614	0.0614
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.035	0.0494
Echinococcus granulosus	transcription factor btf3	0.0035	0.0267	0.0267
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0021	0.0057	0.0081
Trypanosoma brucei	protein kinase, putative	0.0497	0.7073	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.035	0.0108
Trichomonas vaginalis	CMGC family protein kinase	0.0078	0.0901	0.0832
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.026	0.026
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0063	0.008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0046	0.2713
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.035	0.0108
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0267	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0316	0.4409	0.5594
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0063	0.008
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0497	0.7073	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.035	0.0108
Schistosoma mansoni	hypothetical protein	0.0171	0.2266	0.2266
Brugia malayi	PAS domain containing protein	0.0059	0.0614	0.0779
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.0156	0.401
Brugia malayi	latrophilin 2 splice variant baaae	0.014	0.1813	0.23
Trichomonas vaginalis	glucosylceramidase, putative	0.0362	0.5085	0.6327
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0156	0.0198
Echinococcus granulosus	activated cdc42 kinase 1	0.0543	0.7754	0.7754
Loa Loa (eye worm)	hypothetical protein	0.007	0.0787	0.0999
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0156	0.0221
Trichomonas vaginalis	glucosylceramidase, putative	0.0381	0.5373	0.6704
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0704	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0063	0.008
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.026	0.026
Trichomonas vaginalis	glucosylceramidase, putative	0.0552	0.7883	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0063	0.008
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.035	0.0108
Echinococcus granulosus	hypothetical protein	0.0072	0.0816	0.0816
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.017	0.024
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0063	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0533	0.0533
Loa Loa (eye worm)	hypothetical protein	0.032	0.4471	0.5672
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.017	0.024
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.026	0.026
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.0704	0.0704
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0497	0.7073	1
Plasmodium vivax	serine/threonine kinase-1, putative	0.0078	0.0901	1
Echinococcus granulosus	activated cdc42 kinase 1	0.0543	0.7754	0.7754
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0552	0.7883	1
Brugia malayi	Doublecortin family protein	0.0136	0.1755	0.2226
Giardia lamblia	Kinase, CMGC MAPK	0.0497	0.7073	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.1813	0.23
Trypanosoma brucei	glucosidase, putative	0.0041	0.035	0.0494
Onchocerca volvulus		0.0276	0.3812	0.741
Entamoeba histolytica	transcription factor BTF3, putative	0.0035	0.0267	0.542
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0156	0.0198
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.0704	0.0893
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0533	0.0676
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0156	0.0221
Schistosoma mansoni	hypothetical protein	0.0065	0.0704	0.0704
Schistosoma mansoni	serine/threonine protein kinase	0.0084	0.0987	0.0987
Schistosoma mansoni	transcription factor btf3	0.0035	0.0267	0.0267
Schistosoma mansoni	tyrosine kinase	0.032	0.4471	0.4471
Echinococcus granulosus	GPCR family 2	0.0065	0.0704	0.0704
Trichomonas vaginalis	glucosylceramidase, putative	0.0552	0.7883	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0063	0.1629
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.0704	0.0893
Echinococcus granulosus	dual specificity protein kinase clk2	0.0078	0.0901	0.0901
Brugia malayi	Cytochrome P450 family protein	0.004	0.034	0.0431
Echinococcus multilocularis	microtubule associated protein 2	0.0695	1	1
Leishmania major	protein kinase, putative	0.0078	0.0901	0.1274
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.0156	0.0221
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.017	0.4372
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0533	0.0533
Trichomonas vaginalis	CMGC family protein kinase	0.0497	0.7073	0.8937
Schistosoma mansoni	single-minded	0.0059	0.0614	0.0614
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0029	0.017	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0021	0.0057	0.0081
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.035	1
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0267	0.0378
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0078	0.0901	0.0901
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0046	0.2713
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0078	0.0901	0.1274
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.026	0.026
Brugia malayi	Protein kinase domain containing protein	0.0084	0.0987	0.1252
Trichomonas vaginalis	set domain proteins, putative	0.0276	0.3812	0.4655
Schistosoma mansoni	microtubule-associated protein tau	0.0695	1	1
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0267	0.0378
Brugia malayi	MAP kinase sur-1	0.0497	0.7073	0.8973
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0533	0.0533
Schistosoma mansoni	hypothetical protein	0.014	0.1813	0.1813
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.017	0.024
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0901	0.0901
Echinococcus multilocularis	transfer RNA-Thr	0.0543	0.7754	0.7754
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.017	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.026	0.0368
Echinococcus granulosus	single minded 2	0.0043	0.0389	0.0389
Echinococcus granulosus	neuropeptide s receptor	0.0466	0.6618	0.6618
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0497	0.7073	0.8973
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0497	0.7073	1
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.035	0.0494
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.017	0.4372
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.032	0.4471	0.4471
Onchocerca volvulus		0.0043	0.0389	0.0445
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0156	0.0198
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.017	0.0216
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.017	0.0216
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.017	0.4372

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 3.16227766 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 31.6227766 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (ADMET)	= 1 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ]	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-FP Assay). (Class of assay: confirmatory) [Related pubchem assays: 1771, 1770 ]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (ADMET)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1355881

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1205318