TDR Targets

Basic information

Technical information

TDR Targets ID: 1440582
Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-( 4-fluorophenyl)piperazin-1-yl]acetamide
MW: 415.812 | Formula: C19H18ClF4N3O
H donors: 1 H acceptors: 1 LogP: 4.37 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CN1CCN(CC1)c1ccc(cc1)F
InChi: 1S/C19H18ClF4N3O/c20-16-6-1-13(19(22,23)24)11-17(16)25-18(28)12-26-7-9-27(10-8-26)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2,(H,25,28)
InChiKey: FFNXOGKIRCJIFZ-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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-1-piperazinyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanamide
SMR000033417
ST5452112
MLS000047406

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis		0.027	0.0268	0.0204
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0291	0.0323	0.0323
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1377	0.3143	0.3121
Giardia lamblia	GTOR	0.4018	1	1
Brugia malayi	FAT domain containing protein	0.0598	0.1119	0.1077
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.027	0.0268	0.0171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0791	0.1621	0.1593
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1377	0.3143	0.3121
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0291	0.0323	0.0077
Schistosoma mansoni	hypothetical protein	0.0598	0.1119	0.1031
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.027	0.0268	0.0204
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1681	0.3931	0.3764
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0408	0.0627	0.0596
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0291	0.0323	0.0056
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.4018	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0334	0.0434	0.0403
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.027	0.0268	0.0204
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0779	0.1591	0.1508
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1389	0.3173	0.3151
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0779	0.1591	0.1563
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0192	0.0066	0.0019
Loa Loa (eye worm)	hypothetical protein	0.027	0.0268	0.0268
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1377	0.3143	0.2955
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3205	0.7889	0.7882
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.5254	0.5238
Schistosoma mansoni	voltage-gated potassium channel	0.021	0.0112	0.0014
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0545	0.0981	0.0922
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.027	0.0268	0.0171
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.027	0.0268	0.0204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4018	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0268	0.0236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2187	0.5246	0.523
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0365	0.0515	0.0254
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0474	0.0797	0.0767
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.04	0.0605	0.0543
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0779	0.1591	0.1535
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0291	0.0323	0.0229
Trichomonas vaginalis	conserved hypothetical protein	0.0509	0.089	0.086
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0779	0.1591	0.1551
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0291	0.0323	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Loa Loa (eye worm)	hypothetical protein	0.0779	0.1591	0.1591
Toxoplasma gondii	target of rapamycin (TOR), putative	0.3	0.7357	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2695	0.6566	0.6555
Echinococcus multilocularis	geminin	0.0205	0.0098	0.0033
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.3208	0.7898	0.784
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0659	0.1278	0.1191
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0791	0.1621	0.1539
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.027	0.0268	0.0204
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0474	0.0797	0.0708
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.027	0.0268	0.0171
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0192	0.0066	0.0066
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0659	0.1278	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0868	0.182	0.1793
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.4018	1	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.4018	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.4018	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.027	0.0268	0.0268
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0334	0.0434	0.0341
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.04	0.0605	0.056
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.027	0.0268	0.0173
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0474	0.0797	0.0767
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.027	0.0268	0.0236
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0598	0.1119	0.106
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0474	0.0797	0.0767
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0779	0.1591	0.1359
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0868	0.182	0.219
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.4018	1	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.3208	0.7898	0.784
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Loa Loa (eye worm)	phosphatidylinositol 3	0.027	0.0268	0.0268
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2187	0.5246	0.523
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.027	0.0268	0.0222
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2402	0.5804	0.579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Mycobacterium tuberculosis	Conserved hypothetical protein	0.027	0.0268	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0779	0.1591	0.1551
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1431	0.3284	0.3099
Echinococcus multilocularis	Zinc finger, PHD finger	0.0291	0.0323	0.0259
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0291	0.0323	0.0291
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.4018	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.027	0.0268	0.0236
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0291	0.0323	0.0259
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0291	0.0323	0.0056
Echinococcus granulosus	geminin	0.0205	0.0098	0.0033
Echinococcus multilocularis	serine protein kinase ATM	0.0779	0.1591	0.1535
Schistosoma mansoni	hypothetical protein	0.027	0.0268	0.0171
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1431	0.3284	0.3239
Onchocerca volvulus		0.027	0.0268	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0779	0.1591	0.1563
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3205	0.7889	0.7882
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.4018	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1377	0.3143	0.2955
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1431	0.3284	0.3239
Loa Loa (eye worm)	hypothetical protein	0.0598	0.1119	0.1119
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0291	0.0323	0.0277
Entamoeba histolytica	hypothetical protein	0.027	0.0268	0.0173
Leishmania major	hypothetical protein, conserved	0.0367	0.0521	0.026
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1431	0.3284	0.3099
Loa Loa (eye worm)	hypothetical protein	0.0868	0.182	0.182
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.4018	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0357	0.0494	0.0401
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.027	0.0268	0.0222
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.04	0.0605	0.0543
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0334	0.0434	0.0403
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.4018	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0334	0.0434	0.0171
Entamoeba histolytica	protein kinase rad3, putative	0.0779	0.1591	0.1509
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2402	0.5804	0.579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1377	0.3143	0.3121
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1431	0.3284	0.3251
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1431	0.3284	0.3217
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0431	0.0686	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0509	0.089	0.089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2187	0.5246	0.523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2395	0.5787	0.5773
Entamoeba histolytica	hypothetical protein	0.027	0.0268	0.0173
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0334	0.0434	0.0339
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0474	0.0797	0.0544
Trypanosoma cruzi	target of rapamycin kinase 3	0.3208	0.7898	0.784
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0291	0.0323	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0598	0.1119	0.106
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0291	0.0323	0.0227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2402	0.5804	0.579
Loa Loa (eye worm)	phosphatidylinositol 3	0.0616	0.1167	0.1167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3205	0.7889	0.7882
Loa Loa (eye worm)	phosphatidylinositol 3	0.027	0.0268	0.0268
Toxoplasma gondii	FATC domain-containing protein	0.0779	0.1591	0.1866
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0334	0.0434	0.0403
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0474	0.0797	0.0544
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.027	0.0268	0.0204
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0779	0.1591	0.1508
Entamoeba histolytica	hypothetical protein	0.027	0.0268	0.0173
Entamoeba histolytica	hypothetical protein	0.0431	0.0686	0.0595
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Loa Loa (eye worm)	phosphatidylinositol 3	0.4018	1	1
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0291	0.0323	0.0056
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0509	0.089	0.0639
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.5254	0.5238
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0779	0.1591	0.1535
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0291	0.0323	0.0056
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0334	0.0434	0.0389
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.4018	1	1
Mycobacterium leprae	conserved hypothetical protein	0.027	0.0268	0.5
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0545	0.0981	0.0922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.5254	0.5238
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3	0.7357	0.7348
Entamoeba histolytica	hypothetical protein	0.0779	0.1591	0.1509
Onchocerca volvulus		0.027	0.0268	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0779	0.1591	0.1359
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.027	0.0268	0.0236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3205	0.7889	0.7882
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.5254	0.5238
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0334	0.0434	0.0171
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0291	0.0323	0.0056
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0659	0.1278	0.122
Echinococcus granulosus	serine protein kinase ATM	0.0779	0.1591	0.1535
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1389	0.3173	0.2985
Schistosoma mansoni	voltage-gated potassium channel	0.021	0.0112	0.0014
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0291	0.0323	0.0291
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0291	0.0323	0.0077
Trichomonas vaginalis	PIKK family atypical protein kinase	0.342	0.8448	0.8442
Loa Loa (eye worm)	phosphatidylinositol 3	0.1389	0.3173	0.3173
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0291	0.0323	0.0291
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0291	0.0323	0.0259
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4018	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.027	0.0268	0.0268
Loa Loa (eye worm)	hypothetical protein	0.04	0.0605	0.0605
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0474	0.0797	0.0754
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3205	0.7889	0.7882
Loa Loa (eye worm)	phosphatidylinositol kinase	0.027	0.0268	0.0268
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1892	0.4481	0.4329
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0291	0.0323	0.0259
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.4018	1	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0779	0.1591	0.1359
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1389	0.3173	0.2985
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0334	0.0434	0.0341
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0313	0.0379	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4018	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2395	0.5787	0.5773
Trichomonas vaginalis	PIKK family atypical protein kinase	0.108	0.237	0.2345
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0291	0.0323	0.0227
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0408	0.0627	0.0596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1377	0.3143	0.3121
Trichomonas vaginalis	conserved hypothetical protein	0.0598	0.1119	0.109
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0291	0.0323	0.0229
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.027	0.0268	0.0222
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2607	0.6337	0.6325
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0509	0.089	0.086
Loa Loa (eye worm)	hypothetical protein	0.081	0.1669	0.1669

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.3115 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1606413

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1440582