TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.466 | Formula: C23H23FN6O3
H donors: 3 H acceptors: 4 LogP: 3.39 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1cccc(c1)NC(=O)NC1CCN(C1)c1ccnc(n1)Nc1ccc(cc1)F
InChi: 1S/C23H23FN6O3/c1-33-21(31)15-3-2-4-18(13-15)27-23(32)28-19-10-12-30(14-19)20-9-11-25-22(29-20)26-17-7-5-16(24)6-8-17/h2-9,11,13,19H,10,12,14H2,1H3,(H,25,26,29)(H2,27,28,32)
InChiKey: LLVPDBRSUHNJQQ-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain PHD finger transcription factor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	fetal alzheimer antigen, falz	Get druggable targets OG5_133298	All targets in OG5_133298
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133298	All targets in OG5_133298
Echinococcus granulosus	acetyl coenzyme A C acetyltransferase	Get druggable targets OG5_133298	All targets in OG5_133298
Loa Loa (eye worm)	PHD-finger family protein	Get druggable targets OG5_133298	All targets in OG5_133298
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133298	All targets in OG5_133298
Echinococcus multilocularis	acetyl coenzyme A C acetyltransferase	Get druggable targets OG5_133298	All targets in OG5_133298
Brugia malayi	PHD-finger family protein	Get druggable targets OG5_133298	All targets in OG5_133298

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
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.016	0.4989	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0025	0.0041	0.5
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0126	0.0086
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0057	0.1203	0.2348
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0252	0.0212
Brugia malayi	Muscleblind-like protein	0.0146	0.4459	0.893
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0076	0.191	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0763	0.0725
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0057	0.1203	0.2348
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0252	0.024
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0058	0.1241	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0076	0.191	0.1877
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.0252	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0057	0.1203	0.1167
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0034	0.0384	0.1836
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0994	0.1993
Trypanosoma cruzi	aldo-keto reductase	0.0031	0.0252	0.0426
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.1376	0.2758
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0057	0.1203	0.2348
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0137	0.4142	0.8289
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.0252	0.1128
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0175	0.0351
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0076	0.191	0.1877
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0763	0.0725
Onchocerca volvulus		0.0031	0.0252	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0029	0.0175	0.0135
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0252	0.0212
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0252	0.0504
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0076	0.191	0.3778
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.1376	0.2758
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1136	0.1245
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0146	0.4459	0.5023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0844	0.1692
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.1528	0.3064
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0076	0.191	0.3778
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0252	0.024
Mycobacterium ulcerans	oxidoreductase	0.0031	0.0252	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.016	0.4989	1
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0252	0.0426
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0252	0.024
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0029	0.0175	0.0719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.1376	0.2758
Onchocerca volvulus		0.0031	0.0252	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0175	0.0351
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0252	0.0426
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0029	0.0175	0.0272
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0128	0.3827	0.7652
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0038	0.0534	0.264
Echinococcus multilocularis	muscleblind protein	0.0146	0.4459	0.4437
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.016	0.4989	1
Brugia malayi	Bromodomain containing protein	0.0046	0.0822	0.1579
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0076	0.191	0.1877
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.086	0.1723
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0252	0.0426
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0175	0.0351
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0252	0.0426
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0763	0.0725
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0029	0.0175	0.0719
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0252	0.0212
Loa Loa (eye worm)	phosphatidylinositol 3	0.0266	0.8838	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.1376	0.2758
Leishmania major	prostaglandin f synthase, putative	0.0031	0.0252	0.1128
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0763	0.0725
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0252	0.0426
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0297	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0709	0.1422
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0025	0.0041	0.0082
Onchocerca volvulus		0.0031	0.0252	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0112	0.3239	0.3636
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0025	0.0041	0.0082
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0707	0.1417
Echinococcus granulosus	aldo keto reductase	0.0031	0.0252	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0297	1	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0029	0.0175	0.0719
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0717	0.068
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0763	0.1459
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0111	0.3207	0.6429
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0252	0.0504
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0047	0.0866	0.1668
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0029	0.0175	0.0719
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0041	0.063	0.211
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0029	0.0175	0.0135
Echinococcus multilocularis	muscleblind protein 1	0.0146	0.4459	0.4437
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.191	0.3829
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0252	0.0504
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0094	0.2582	0.2552
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0105	0.2984	0.5949
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.1376	0.2758
Echinococcus granulosus	aldo keto reductase	0.0031	0.0252	0.0212
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0126	0.0086
Schistosoma mansoni	hypothetical protein	0.0025	0.0042	0.0001
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0029	0.0175	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1776	0.1972
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0175	0.0351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0076	0.191	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0709	0.1422
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0252	0.024
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.191	0.3829
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0029	0.0175	0.0272
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0151	0.4652	0.9319
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Leishmania major	aldo-keto reductase-like protein	0.0031	0.0252	0.1128
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0061	0.1378	0.7154
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0076	0.191	0.3778
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0057	0.1203	0.2348
Schistosoma mansoni	pol-related	0.0031	0.0252	0.0212
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0057	0.1203	0.2411
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0076	0.191	0.3829
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0252	0.0426
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0111	0.3207	0.6429
Toxoplasma gondii	aldose reductase, putative	0.0031	0.0252	0.1756
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.016	0.4989	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0057	0.1203	0.6215
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0057	0.1203	0.2411
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.016	0.4989	1
Trypanosoma brucei	prostaglandin f synthase	0.0031	0.0252	0.1128
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0252	0.0212
Schistosoma mansoni	bromodomain containing protein	0.003	0.0231	0.0191
Echinococcus granulosus	muscleblind protein	0.0146	0.4459	0.4437
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.0252	0.0426
Echinococcus multilocularis	acetyl coenzyme A C acetyltransferase	0.0067	0.1587	0.1553
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Onchocerca volvulus		0.0031	0.0252	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0175	0.0351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0707	0.1417
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0252	0.0212
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0105	0.2984	0.2956
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0061	0.1378	0.7154
Echinococcus granulosus	aldo keto reductase	0.0031	0.0252	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0709	0.1422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.0866	0.0938
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0076	0.191	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0252	0.0504
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0074	0.1822	0.3601
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0763	0.0725
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Brugia malayi	PHD-finger family protein	0.0097	0.2687	0.5347
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0707	0.1417
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0252	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.086	0.1723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Echinococcus granulosus	hypothetical protein	0.0031	0.0252	0.0212
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0076	0.191	0.3778
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0252	0.024
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0076	0.191	0.3778
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0763	0.0725
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0029	0.0175	0.0135
Onchocerca volvulus		0.0031	0.0252	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0763	0.0725
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	0.0252	0.1128
Loa Loa (eye worm)	phosphatidylinositol 3	0.0076	0.191	0.2125
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0252	0.024
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0844	0.1692
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.016	0.4989	1
Onchocerca volvulus		0.0031	0.0252	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0025	0.0041	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2984	0.3346
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1241	0.2488
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0717	0.068
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.008	0.2045	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0252	0.0504
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0025	0.0041	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0057	0.1203	0.2411
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0105	0.2984	0.2956
Echinococcus granulosus	acetyl coenzyme A C acetyltransferase	0.0067	0.1587	0.1553
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0252	0.0426
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.016	0.4989	1
Giardia lamblia	GTOR	0.0076	0.191	0.9248
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0763	0.0821
Loa Loa (eye worm)	phosphatidylinositol 3	0.0029	0.0175	0.0153
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.0252	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0146	0.4459	0.5023
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0252	0.0212
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0076	0.191	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0252	0.0212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0709	0.1422
Entamoeba histolytica	hypothetical protein	0.0128	0.3827	0.7652
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.086	0.1723
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0252	0.0504
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.0252	0.5
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0252	0.0504
Trypanosoma cruzi	target of rapamycin kinase 3	0.0061	0.1378	0.2703
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.1051	0.2106

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -0.55 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 1.14 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2.08 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 3 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 5 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 83 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 6.15	Inhibition Frequency Index (IFI)	GSK.	20485427
Kd (binding)	= 2800 nM	Binding affinity to BPTF (unknown origin) by isothermal titration calorimetric analysis	ChEMBL.	26572217
Percent growth inhibition (functional)	= 3 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 5 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 83 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.3	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.49963 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL586426
Search by GSK

Bibliographic References

2 literature references were 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 591265