TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.82 | Formula: C12H17ClN6O2S
H donors: 4 H acceptors: 4 LogP: 1.81 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N.Cl
InChi: 1S/C12H16N6O2S.ClH/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18);1H
InChiKey: OQAKWUKJALLLSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	phosphatidylinositol 3	0.1362	0.238	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0145	0.0185	0.4324
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0866	0.1486	0.7526
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0219	0.0318	0.0821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0423	0.0686	0.2881
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0219	0.0318	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0642	0.108	0.2787
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0219	0.0318	0.0821
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0002	0.0002
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0948	0.1634	0.4215
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0219	0.0318	0.0821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0219	0.0318	0.1612
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1137	0.1975	0.5095
Loa Loa (eye worm)	hypothetical protein	0.0642	0.108	0.4539
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	0.1337
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1137	0.1975	0.5095
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0002	0.0009
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	0.0821
Loa Loa (eye worm)	phosphatidylinositol 3	0.0219	0.0318	0.1337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0219	0.0318	0.1337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0219	0.0318	0.0821
Plasmodium falciparum	glycogen synthase kinase 3	0.0047	0.0009	0.027
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Echinococcus multilocularis	serine protein kinase ATM	0.0948	0.1634	0.1634
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1362	0.238	0.6347
Mycobacterium tuberculosis	Probable dehydrogenase	0.013	0.0159	0.3704
Echinococcus granulosus	thioredoxin glutathione reductase	0.0057	0.0027	0.0027
Onchocerca volvulus		0.0219	0.0318	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0238	0.0352	0.1479
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0047	0.0009	0.027
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0496	0.0818	0.0818
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0047	0.0009	0.0022
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0219	0.0318	0.0821
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0047	0.0009	0.0023
Toxoplasma gondii	ABC1 family protein	0.0043	0.0002	0.001
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.0849
Entamoeba histolytica	protein kinase rad3, putative	0.0642	0.108	0.5471
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0866	0.1486	0.6243
Onchocerca volvulus		0.0219	0.0318	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.013	0.0159	0.3704
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0145	0.0185	0.4324
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0002	0.0009
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0002	0.0009
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	1
Plasmodium vivax	thioredoxin reductase, putative	0.0057	0.0027	0.0836
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0219	0.0318	0.1337
Trichomonas vaginalis	conserved hypothetical protein	0.0496	0.0818	0.3436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0642	0.108	0.4539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Plasmodium falciparum	thioredoxin reductase	0.0057	0.0027	0.0836
Entamoeba histolytica	hypothetical protein	0.0219	0.0318	0.1612
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0219	0.0318	0.1612
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0219	0.0318	0.1337
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0715	0.1213	0.5094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	0.0821
Leishmania major	hypothetical protein, conserved	0.0043	0.0002	0.0005
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0219	0.0318	0.0821
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0219	0.0318	0.0821
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0219	0.0318	0.1612
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1137	0.1975	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1137	0.1975	0.8296
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0642	0.108	0.108
Entamoeba histolytica	hypothetical protein	0.0219	0.0318	0.1612
Entamoeba histolytica	protein kinase domain containing protein	0.0047	0.0009	0.0044
Brugia malayi	Thioredoxin reductase	0.0057	0.0027	0.0069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0219	0.0318	0.1337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0002	0.0009
Giardia lamblia	Hypothetical protein	0.0219	0.0318	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0219	0.0318	0.1612
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0002	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0715	0.1213	0.5094
Giardia lamblia	Kinase, CMGC GSK	0.0047	0.0009	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0219	0.0318	0.0318
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2192	0.3876	0.3876
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0219	0.0318	0.0849
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	0.1337
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.073	0.1239	0.3197
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0219	0.0318	0.0821
Schistosoma mansoni	hypothetical protein	0.0219	0.0318	0.0821
Onchocerca volvulus		0.0047	0.0009	0.0207
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1137	0.1975	0.8296
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1137	0.1975	0.5265
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0002	0.5
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0219	0.0318	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0219	0.0318	0.1337
Plasmodium vivax	glutathione reductase, putative	0.0057	0.0027	0.0836
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0219	0.0318	0.0318
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0219	0.0318	0.1337
Trypanosoma brucei	protein kinase, putative	0.0047	0.0009	0.0036
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2192	0.3876	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0047	0.0009	0.0036
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2192	0.3876	1
Loa Loa (eye worm)	thioredoxin reductase	0.0057	0.0027	0.0112
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0219	0.0318	0.1337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Echinococcus multilocularis		0.0219	0.0318	0.0318
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0219	0.0318	0.0318
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1137	0.1975	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1137	0.1975	0.1975
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0219	0.0318	0.0318
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.5588	1	1
Mycobacterium ulcerans	lipase LipD	0.0043	0.0002	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.1612
Toxoplasma gondii	thioredoxin reductase	0.0057	0.0027	0.0135
Entamoeba histolytica	protein kinase, putative	0.0047	0.0009	0.0044
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0002	0.5
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0219	0.0318	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0002	0.0009
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0219	0.0318	0.1612
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0057	0.0027	0.0581
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1137	0.1975	0.5265
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0318	0.1337
Echinococcus granulosus	protein kinase shaggy	0.0047	0.0009	0.0009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0948	0.1634	0.6864
Echinococcus multilocularis	geminin	0.0205	0.0293	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0225	0.0329	0.1383
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0219	0.0318	0.1337
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0219	0.0318	0.0318
Entamoeba histolytica	protein kinase domain containing protein	0.0047	0.0009	0.0044
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0219	0.0318	0.0821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0642	0.108	0.2787
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0219	0.0318	0.0821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0642	0.108	0.4539
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1137	0.1975	0.5095
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0047	0.0009	0.0009
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0219	0.0318	0.1337
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0002	0.0009
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0219	0.0318	0.1612
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0219	0.0318	0.0318
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0002	0.0005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1362	0.238	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0002	0.0009
Entamoeba histolytica	hypothetical protein	0.0219	0.0318	0.1612
Loa Loa (eye worm)	phosphatidylinositol 3	0.0219	0.0318	0.1337
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0219	0.0318	0.1612
Echinococcus multilocularis	protein kinase shaggy	0.0047	0.0009	0.0009
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0219	0.0318	0.1337
Trypanosoma cruzi	hypothetical protein, conserved	0.1903	0.3356	0.8658
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0219	0.0318	0.0318
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0642	0.108	0.4539
Giardia lamblia	Kinase, CMGC GSK	0.0047	0.0009	0.0044
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0047	0.0009	0.0036
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0219	0.0318	0.0821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Echinococcus granulosus	geminin	0.0205	0.0293	0.0293
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0219	0.0318	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0219	0.0318	0.1337
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1137	0.1975	0.8296
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0642	0.108	0.4539
Trypanosoma cruzi	target of rapamycin kinase 3	0.1137	0.1975	0.5095
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0219	0.0318	0.1337
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0219	0.0318	0.1337
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1137	0.1975	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Plasmodium vivax	hypothetical protein, conserved	0.0219	0.0318	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trypanosoma brucei	trypanothione reductase	0.0057	0.0027	0.0112
Schistosoma mansoni	hypothetical protein	0.0205	0.0293	0.0755
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.1426	0.368
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.0931	0.0931
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0219	0.0318	0.0821
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0047	0.0009	0.0044
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0219	0.0318	0.1337
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2192	0.3876	0.3876
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0002	0.0009
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0219	0.0318	0.0318
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0009	0.0036
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0219	0.0318	0.1337
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0948	0.1634	0.4215
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1137	0.1975	0.8296
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0219	0.0318	0.0821
Plasmodium vivax	hypothetical protein	0.0219	0.0318	1
Mycobacterium tuberculosis	Probable reductase	0.013	0.0159	0.3704
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0002	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0002	0.5
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0219	0.0318	0.1337
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1362	0.238	1
Toxoplasma gondii	FATC domain-containing protein	0.0948	0.1634	0.8274
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0002	0.0009
Loa Loa (eye worm)	glutathione reductase	0.0057	0.0027	0.0112
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.0931	0.0931
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0219	0.0318	0.0318
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0002	0.0005
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0219	0.0318	0.0318
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.1612
Schistosoma mansoni	hypothetical protein	0.0496	0.0818	0.211
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.1612
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0219	0.0318	0.0821
Trichomonas vaginalis	esterase, putative	0.0043	0.0002	0.0009
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0002	0.0002
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0526	0.0872	0.2249
Leishmania major	phosphatidylinositol kinase, putative	0.0219	0.0318	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0002	0.0009
Leishmania major	hypothetical protein, conserved	0.2122	0.375	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0219	0.0318	0.0821
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0715	0.1213	0.614
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0219	0.0318	0.1612
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0948	0.1634	0.6864
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0219	0.0318	0.0821
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0219	0.0318	0.0849
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0238	0.0352	0.0908
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0219	0.0318	0.1337
Loa Loa (eye worm)	phosphatidylinositol 3	0.0219	0.0318	0.1337
Loa Loa (eye worm)	phosphatidylinositol 3	0.0219	0.0318	0.1337
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0145	0.0185	0.5777
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.0821
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1137	0.1975	0.5265
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0219	0.0318	0.1337
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1137	0.1975	0.5095
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0219	0.0318	0.1337
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2192	0.3876	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0642	0.108	0.4539
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0318	0.1337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Loa Loa (eye worm)	phosphatidylinositol 3	0.1137	0.1975	0.8296
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0526	0.0872	0.2324
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.1426	0.1426
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0219	0.0318	0.1337
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0002	0.0005
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0219	0.0318	0.1612
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.0931	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0496	0.0818	0.3436
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0948	0.1634	0.4215
Brugia malayi	glutathione reductase	0.0057	0.0027	0.0069
Brugia malayi	beta-lactamase family protein	0.0043	0.0002	0.0005
Schistosoma mansoni	hypothetical protein	0.0205	0.0293	0.0755
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0002	0.0005
Entamoeba histolytica	hypothetical protein	0.0948	0.1634	0.8274
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0219	0.0318	0.0318
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0002	0.0009
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0002	0.0005
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.1426	0.1426
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0002	0.0009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0715	0.1213	0.5094
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0047	0.0009	0.0009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.013	0.0159	0.3704
Echinococcus granulosus	serine protein kinase ATM	0.0948	0.1634	0.1634
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0009	0.0036
Leishmania major	hypothetical protein, unknown function	0.0219	0.0318	0.0849
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0219	0.0318	0.7484
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0219	0.0318	0.0821
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0047	0.0009	0.0022
Plasmodium falciparum	glutathione reductase	0.0057	0.0027	0.0836
Trypanosoma cruzi	trypanothione reductase, putative	0.0057	0.0027	0.0069
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0002	0.0064
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0642	0.108	0.2787
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0219	0.0318	0.0821
Brugia malayi	beta-lactamase family protein	0.0043	0.0002	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0715	0.1213	0.5094
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1137	0.1975	0.5265
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0219	0.0318	0.0821
Loa Loa (eye worm)	hypothetical protein	0.073	0.1239	0.5206
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.013	0.0159	0.3704
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2192	0.3876	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Leishmania major	trypanothione reductase	0.0057	0.0027	0.0071
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Entamoeba histolytica	hypothetical protein	0.0219	0.0318	0.1612
Brugia malayi	beta-lactamase	0.0043	0.0002	0.0005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Brugia malayi	FAT domain containing protein	0.0496	0.0818	0.211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0642	0.108	0.4539
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.013	0.0159	0.4948
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0219	0.0318	0.0318
Brugia malayi	intracellular kinase	0.0047	0.0009	0.0022
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0057	0.0027	0.0027
Trichomonas vaginalis	conserved hypothetical protein	0.0423	0.0686	0.2881
Mycobacterium leprae	conserved hypothetical protein	0.0219	0.0318	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0219	0.0318	0.0821
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.0425	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0002	0.0009
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.0931	0.0931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0219	0.0318	0.1337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1137	0.1975	0.8296
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0642	0.108	0.108
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.013	0.0159	0.3704
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0496	0.0818	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0225	0.0329	0.1383
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0219	0.0318	1
Giardia lamblia	GTOR	0.1137	0.1975	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0145	0.0185	0.4324
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1137	0.1975	0.1975
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0219	0.0318	0.1337
Echinococcus multilocularis	Zinc finger, PHD finger	0.0219	0.0318	0.0318

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	13.1154 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)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1397139

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1283010