TDR Targets

Basic information

Technical information

TDR Targets ID: 1328446
Name: (1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoq uinoline-1-carbonitrile
MW: 416.409 | Formula: C24H21N2O3P
H donors: 0 H acceptors: 2 LogP: 5.9 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@@H]1c2ccccc2C=CN1P(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C
InChi: 1S/C24H21N2O3P/c1-18-7-11-21(12-8-18)28-30(27,29-22-13-9-19(2)10-14-22)26-16-15-20-5-3-4-6-23(20)24(26)17-25/h3-16,24H,1-2H3/t24-/m1/s1
InChiKey: NFXWVIKRJLDWAX-XMMPIXPASA-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

NCIStruc2_001780
NCI121912
NCGC00014246
NSC-121912
NCIStruc1_001354

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Bacillus anthracis	Anthrax lethal factor	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
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0177	0.3803	0.375
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.0088	0.0003
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.059	0.0509
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0524	0.0524
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0081	0.1405	0.1332
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0143	0.2955	0.2895
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.2418	0.2418
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0085	0.0085
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.0524	0.0443
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.0524	0.0443
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0427	1	1
Echinococcus multilocularis	serine protein kinase ATM	0.0081	0.1405	0.1332
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.0524	0.0443
Loa Loa (eye worm)	phosphatidylinositol 3	0.0028	0.0085	0.0085
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0427	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0143	0.2955	0.2895
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0028	0.0085	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.1634	0.1634
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0062	0.0951	0.0873
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0028	0.0085	0.0085
Schistosoma mansoni	hypothetical protein	0.0048	0.059	0.0509
Schistosoma mansoni	hypothetical protein	0.0048	0.059	0.0509
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0081	0.1405	0.1332
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.0524	0.0443
Brugia malayi	cell division control protein 2 homolog	0.0045	0.0524	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0951	0.0951
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0143	0.2955	0.2895
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0028	0.0085	0.0085
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0143	0.2955	0.2895
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0081	0.1405	0.1405
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0028	0.0085	0.0085
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1561	0.1561
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0088	0.0003
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.023	0.5115	0.5074
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0427	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.034	0.7831	0.7813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.5124	0.5082
Entamoeba histolytica	hypothetical protein	0.0028	0.0085	0.0085
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0028	0.0085	0.0085
Loa Loa (eye worm)	cytochrome P450 family protein	0.0063	0.0969	0.0969
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0081	0.1405	0.1332
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0427	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0143	0.2955	0.2895
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.2418	0.2418
Entamoeba histolytica	hypothetical protein	0.0028	0.0085	0.0085
Onchocerca volvulus		0.0028	0.0085	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0722	0.0642
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.059	0.0509
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.0524	0.0443
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.059	0.059
Leishmania major	phosphatidylinositol kinase, putative	0.0028	0.0085	0.0085
Giardia lamblia	GTOR	0.0427	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0427	1	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0318	0.7284	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0088	0.0088
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0085	0.0085
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0028	0.0085	0.0085
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0081	0.1405	0.1405
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.034	0.784	0.784
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.1405	0.1332
Loa Loa (eye worm)	phosphatidylinositol 3	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0286	0.651	0.6481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.023	0.5115	0.5074
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0255	0.5734	0.5698
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0088	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0028	0.0085	0.0085
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0028	0.0085	0.0085
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.0524	0.0443
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0524	0.0443
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.0524	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0151	0.3158	0.3158
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0081	0.1405	0.1332
Mycobacterium leprae	conserved hypothetical protein	0.0028	0.0085	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0045	0.0524	0.0443
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0427	1	1
Schistosoma mansoni	hypothetical protein	0.0062	0.0951	0.0873
Loa Loa (eye worm)	phosphatidylinositol 3	0.0028	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1969	0.1969
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0081	0.1405	0.1332
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0028	0.0085	0.0085
Entamoeba histolytica	hypothetical protein	0.0028	0.0085	0.0085
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0053	0.0722	0.0642
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0143	0.2955	0.2955
Trypanosoma cruzi	target of rapamycin kinase 3	0.034	0.784	0.7822
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0427	1	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0028	0.0085	0.0085
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.059	0.059
Echinococcus granulosus	GPCR family 2	0.0048	0.059	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0085	0.0085
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0427	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0143	0.2955	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0143	0.2955	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0255	0.5734	0.5698
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0143	0.2955	0.2895
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.3158	0.3158
Echinococcus multilocularis	cyclin dependent kinase 5	0.0045	0.0524	0.0443
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0427	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.1634	0.1563
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0045	0.0524	0.0524
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.034	0.784	0.7822
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.009	0.1634	0.2153
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.0524	0.0443
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0143	0.2955	0.2895
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0427	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.1405	0.1332
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0143	0.2955	0.2895
Leishmania major	hypothetical protein, unknown function	0.0028	0.0085	0.0085
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.3158	0.3158
Schistosoma mansoni	hypothetical protein	0.0048	0.059	0.0509
Plasmodium vivax	protein kinase Crk2	0.0045	0.0524	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.3158	0.3158
Toxoplasma gondii	FATC domain-containing protein	0.0081	0.1405	0.1835
Onchocerca volvulus		0.0028	0.0085	1
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.0088	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.1405	0.1332
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0085	0.0085
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.034	0.7831	0.7813
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0722	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0512	0.0512
Echinococcus granulosus	serine protein kinase ATM	0.0081	0.1405	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.5124	0.5082
Loa Loa (eye worm)	phosphatidylinositol 3	0.0028	0.0085	0.0085
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0951	0.0873
Entamoeba histolytica	hypothetical protein	0.0081	0.1405	0.1405
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0427	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0085	0.0085
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.059	0.0509
Echinococcus granulosus	cyclin dependent kinase	0.0045	0.0524	0.0443
Leishmania major	cytochrome p450-like protein	0.0028	0.0088	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.5671	0.5634
Entamoeba histolytica	hypothetical protein	0.0028	0.0085	0.0085
Echinococcus multilocularis	cyclin dependent kinase	0.0045	0.0524	0.0443
Brugia malayi	FAT domain containing protein	0.0062	0.0951	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0048	0.059	0.059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.023	0.5115	0.5074
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0045	0.0524	0.0524
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0081	0.1405	0.1332
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0081	0.1405	0.1405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0255	0.5734	0.5698
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0045	0.0524	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.034	0.7831	0.7813
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0722	0.0722
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.0524	0.0524
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0143	0.2955	0.2955
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0427	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0524	0.0443
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.0524	0.0443
Plasmodium falciparum	protein kinase 5	0.0045	0.0524	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0028	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0365	0.845	0.8437
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.0524	0.0524
Trichomonas vaginalis	PIKK family atypical protein kinase	0.034	0.7831	0.7813
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0202	0.4413	0.4366
Echinococcus granulosus	cyclin dependent kinase 1	0.0045	0.0524	0.0443
Schistosoma mansoni	hypothetical protein	0.0048	0.059	0.0509
Leishmania major	hypothetical protein, conserved	0.0028	0.0085	0.0085
Echinococcus multilocularis	GPCR, family 2	0.0048	0.059	0.0509
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.1969	0.1969
Trypanosoma brucei	cdc2-related kinase 3	0.0045	0.0524	0.0443
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.2245	0.2178
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0028	0.0085	0.0085
Loa Loa (eye worm)	phosphatidylinositol 3	0.0028	0.0085	0.0085
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.0524	0.0443
Loa Loa (eye worm)	phosphatidylinositol 3	0.0427	1	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0045	0.0524	0.0443
Brugia malayi	Cytochrome P450 family protein	0.0063	0.0969	0.0969
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.5124	0.5082
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.7284	0.7261
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0088	0.0088
Entamoeba histolytica	protein kinase rad3, putative	0.0081	0.1405	0.1405
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0143	0.2955	0.2895
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1405	0.1405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.5124	0.5082
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.0524	0.0524
Trypanosoma brucei	cdc2-related kinase 1	0.0045	0.0524	0.0443
Trichomonas vaginalis	PIKK family atypical protein kinase	0.034	0.7831	0.7813
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0088	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.5671	0.5634
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0045	0.0524	0.0524
Loa Loa (eye worm)	phosphatidylinositol 3	0.0143	0.2955	0.2955
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0081	0.1405	0.1332
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0062	0.0951	0.0873
Brugia malayi	MH2 domain containing protein	0.0122	0.2418	0.2418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0277	0.6281	0.625
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.0524	0.0443
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.0088	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.059	0.0509
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0143	0.2955	0.2895
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0143	0.2955	0.2955
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.059	0.059
Schistosoma mansoni	hypothetical protein	0.0103	0.1969	0.1901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0427	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.0524	0.0443
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0427	1	1

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-cyp2d6 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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 2.511886432 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
AC50 (functional)	= 2.511886432 uM	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)	= 3.981071706 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
Potency (ADMET)	= 0.631 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)	= 1 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 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: CHEMBL1454949

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1328446