TDR Targets

Basic information

Technical information

TDR Targets ID: 1349538
Name: 4-(2-azidoethyl)-1-(phenylmethyl)-1,4-diazepa n-5-one
MW: 273.334 | Formula: C14H19N5O
H donors: 0 H acceptors: 1 LogP: 1.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: [N-]=[N+]=NCCN1CCN(CCC1=O)Cc1ccccc1
InChi: 1S/C14H19N5O/c15-17-16-7-9-19-11-10-18(8-6-14(19)20)12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChiKey: UCRLLEIDKLUFMZ-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

4-(2-azidoethyl)-1-(benzyl)-1,4-diazepan-5-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
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
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0074	0.2667	0.2555
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0074	0.2667	0.8151
Entamoeba histolytica	P-glycoprotein 5, putative	0.023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2667	0.2555
Brugia malayi	ABC transporter family protein	0.0074	0.2667	0.2555
Echinococcus granulosus	multidrug resistance protein 1	0.0158	0.6616	0.6564
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0086	0.322	0.306
Loa Loa (eye worm)	hypothetical protein	0.0228	0.9878	0.9876
Echinococcus granulosus	multidrug resistance associated protein 7	0.0086	0.322	0.3116
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0086	0.3226	0.3122
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.023	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0086	0.322	0.306
Schistosoma mansoni	voltage-gated potassium channel	0.0092	0.3507	0.3507
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.023	1	1
Giardia lamblia	MRP-like ABC transporter	0.0086	0.322	1
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0074	0.2667	0.2495
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0085	0.3162	0.3057
Trichomonas vaginalis	ABC transporter, putative	0.023	1	1
Schistosoma mansoni	smdr2	0.023	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0072	0.2545	0.2431
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.2668	0.2556
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.023	0.008
Schistosoma mansoni	multidrug resistance protein	0.0086	0.322	0.322
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.023	1	1
Trichomonas vaginalis	abcb9, putative	0.023	1	1
Entamoeba histolytica	P-glycoprotein-5	0.023	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.7761	0.7727
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0074	0.2667	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.023	0.008
Entamoeba histolytica	P-glycoprotein 5, putative	0.0072	0.2545	0.2369
Giardia lamblia	ABC transporter, putative	0.0086	0.322	1
Schistosoma mansoni	multidrug resistance protein	0.0086	0.322	0.322
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2545	0.2431
Trichomonas vaginalis	ABC transporter, putative	0.023	1	1
Trypanosoma brucei	multidrug resistance protein E	0.0086	0.322	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.3098	0.2992
Plasmodium vivax	ABC transporter B family member 4, putative	0.0074	0.2667	0.2495
Brugia malayi	ABC transporter transmembrane region family protein	0.0074	0.2667	0.2555
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0086	0.322	0.306
Trichomonas vaginalis	ABC transporter, putative	0.023	1	1
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0074	0.2667	0.2495
Giardia lamblia	Multidrug resistance-associated protein Mrp2	0.0072	0.2545	0.7742
Schistosoma mansoni	ap endonuclease	0.0023	0.023	0.023
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0074	0.2667	0.2495
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0158	0.6616	0.6564
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.023	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0072	0.2545	0.2431
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0074	0.2667	0.8151
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0074	0.2667	0.2555
Toxoplasma gondii	ABC transporter family protein	0.0074	0.2667	0.2495
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0085	0.3162	0.3057
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Schistosoma mansoni	multidrug resistance protein	0.0086	0.322	0.322
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0086	0.322	0.306
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0021	0.0151	0.0151
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0151	0.0151
Entamoeba histolytica	P-glycoprotein 6, putative	0.0074	0.2667	0.2495
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0086	0.322	1
Echinococcus granulosus	sodium channel protein	0.0086	0.3226	0.3122
Giardia lamblia	Multidrug resistance-associated protein 1	0.0086	0.322	1
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0074	0.2667	0.2495
Loa Loa (eye worm)	hypothetical protein	0.0086	0.322	0.3116
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0074	0.2667	0.8151
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.023	1	1
Entamoeba histolytica	P-glycoprotein-2	0.023	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0086	0.322	0.306
Trichomonas vaginalis	abcb9, putative	0.023	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0072	0.2545	0.2431
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0074	0.2667	0.2495
Entamoeba histolytica	multidrug resistance protein, putative	0.0086	0.322	0.306
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.023	0.008
Giardia lamblia	Multidrug resistance-associated protein 1	0.0084	0.3098	0.9591
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0074	0.2667	0.2495
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.5946	0.5884
Echinococcus granulosus	ATP binding cassette sub family B	0.0072	0.2545	0.2431
Schistosoma mansoni	hypothetical protein	0.0205	0.8791	0.8791
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Echinococcus granulosus	geminin	0.0205	0.8791	0.8773
Plasmodium falciparum	multidrug resistance protein 1	0.023	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.023	1	1
Schistosoma mansoni	multidrug resistance protein	0.023	1	1
Toxoplasma gondii	ABC transporter, putative	0.0074	0.2667	0.2495
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.023	0.008
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.023	1	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0086	0.322	0.3116
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0074	0.2667	0.2495
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0074	0.2667	0.2667
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0086	0.322	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0074	0.2667	0.2555
Leishmania major	pentamidine resistance protein 1	0.0086	0.322	0.306
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.023	0.5
Schistosoma mansoni	multidrug resistance protein	0.0086	0.322	0.322
Echinococcus granulosus	voltage gated potassium channel	0.0028	0.0496	0.035
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0074	0.2667	0.2495
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0028	0.0496	0.035
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.023	1	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0074	0.2667	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.322	0.3116
Echinococcus granulosus	multidrug resistance protein 1	0.0158	0.6616	0.6564
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.023	1	1
Brugia malayi	ABC transporter family protein	0.0074	0.2667	0.2555
Brugia malayi	ABC transporter family protein	0.0074	0.2667	0.2555
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0072	0.2545	0.2431
Loa Loa (eye worm)	ABC transporter	0.0074	0.2667	0.2555
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0074	0.2667	0.2495
Schistosoma mansoni	smdr1	0.0074	0.2667	0.2667
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.023	1	1
Echinococcus multilocularis	voltage gated potassium channel	0.0028	0.0496	0.035
Leishmania major	p-glycoprotein e	0.0086	0.322	0.306
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0496	0.035
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0086	0.322	0.3116
Leishmania major	p-glycoprotein	0.023	1	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.023	1	1
Echinococcus multilocularis	sodium channel protein	0.0086	0.3226	0.3122
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0028	0.0496	0.035
Loa Loa (eye worm)	hypothetical protein	0.023	1	1
Plasmodium vivax	ABC transporter B family member 3, putative	0.0074	0.2667	0.2495
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0074	0.2667	0.2555
Plasmodium vivax	ABC transporter B family member 6, putative	0.0074	0.2667	0.2495
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0074	0.2667	1
Echinococcus granulosus	multidrug resistance protein 1	0.023	1	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0021	0.0151	0.0151
Brugia malayi	MH2 domain containing protein	0.0144	0.5946	0.5884
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0074	0.2667	0.2495
Toxoplasma gondii	hypothetical protein	0.0183	0.7761	0.7708
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.023	1	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0086	0.322	1
Echinococcus granulosus	multidrug resistance protein 1	0.023	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0074	0.2667	0.2555
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0074	0.2667	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0074	0.2667	0.5
Echinococcus multilocularis	multidrug resistance protein 1	0.023	1	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.023	1	0.5
Echinococcus multilocularis	ATP binding cassette sub family B	0.0228	0.9878	0.9876
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0228	0.9878	0.9876
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.023	1	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0074	0.2667	0.2495
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0183	0.7761	0.7727
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0086	0.322	0.306
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.023	1	1
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0074	0.2667	0.2495
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0085	0.3162	0.3057
Plasmodium falciparum	multidrug resistance protein 2	0.0074	0.2667	0.2495
Entamoeba histolytica	ABC transporter, putative	0.0086	0.322	0.306
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0021	0.0151	0.0151
Brugia malayi	P-glycoprotein-like protein	0.0074	0.2667	0.2555
Schistosoma mansoni	voltage-gated potassium channel	0.0028	0.0496	0.0496
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0072	0.2545	0.2545
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.023	1	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0021	0.0151	0.0151
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.023	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.023	1	1
Schistosoma mansoni	ap endonuclease	0.0023	0.023	0.023
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0074	0.2667	0.2495
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.2545	0.2431
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0074	0.2667	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0086	0.322	1
Plasmodium vivax	ABC transporter B family member 7, putative	0.0074	0.2667	0.2495
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.023	0.008
Schistosoma mansoni	multidrug resistance protein	0.023	1	1
Leishmania major	ABC-thiol transporter	0.0086	0.322	0.306
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0074	0.2667	0.2495
Trichomonas vaginalis	abcb9, putative	0.023	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0074	0.2667	0.2555
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0086	0.3226	0.3067
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0086	0.322	0.306
Echinococcus granulosus	multidrug resistance protein 1	0.023	1	1
Trypanosoma brucei	p-glycoprotein	0.0086	0.322	1
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0086	0.322	0.306
Schistosoma mansoni	voltage-gated potassium channel	0.0028	0.0496	0.0496
Brugia malayi	hypothetical protein	0.0074	0.2667	0.2555
Echinococcus multilocularis		0.0074	0.2667	0.2555
Loa Loa (eye worm)	hypothetical protein	0.0183	0.7761	0.7727
Echinococcus multilocularis	ATP binding cassette sub family B	0.0074	0.2667	0.2555
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0074	0.2667	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0074	0.2667	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.023	1	1
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0074	0.2667	0.2495
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.2668	0.2556
Trichomonas vaginalis	taga, putative	0.023	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0072	0.2545	0.2369
Schistosoma mansoni	multidrug resistance protein	0.023	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.023	0.008
Brugia malayi	ABC transporter	0.0074	0.2667	0.2555
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.023	1	1
Trichomonas vaginalis	ABC transporter, putative	0.023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.7761	0.7727
Echinococcus multilocularis	multidrug resistance protein 1	0.0158	0.6616	0.6564
Schistosoma mansoni	multidrug resistance protein	0.0072	0.2545	0.2545
Schistosoma mansoni	multidrug resistance protein	0.0074	0.2667	0.2667
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0074	0.2667	0.2495
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0021	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2666	0.2554
Loa Loa (eye worm)	multidrug resistance protein 3	0.023	1	1
Loa Loa (eye worm)	hypothetical protein	0.023	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0086	0.322	0.306
Echinococcus multilocularis	multidrug resistance protein 1	0.023	1	1
Giardia lamblia	Hypothetical protein	0.0072	0.2545	0.7742
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0074	0.2667	0.2495
Entamoeba histolytica	hypothetical protein	0.0086	0.322	0.306
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0086	0.322	0.3116
Plasmodium vivax	multidrug resistance protein 2, putative	0.0074	0.2667	0.2495
Echinococcus granulosus	multidrug resistance associated protein 1	0.0086	0.322	0.3116
Schistosoma mansoni	voltage-gated potassium channel	0.0092	0.3507	0.3507
Onchocerca volvulus		0.023	1	0.5
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0074	0.2667	0.8151
Giardia lamblia	Multidrug resistance-associated protein 1	0.0086	0.322	1
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0074	0.2667	0.2495
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0028	0.0496	0.035
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Loa Loa (eye worm)	ABC transporter	0.0074	0.2667	0.2555
Entamoeba histolytica	P-glycoprotein-1	0.023	1	1
Entamoeba histolytica	P-glyco protein 6, putative	0.023	1	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.023	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.023	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.023	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.023	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0085	0.3162	0.3057
Echinococcus granulosus	ATP binding cassette sub family B	0.0074	0.2667	0.2555
Echinococcus multilocularis	geminin	0.0205	0.8791	0.8773
Schistosoma mansoni	hypothetical protein	0.0205	0.8791	0.8791
Brugia malayi	ABC transporter transmembrane region family protein	0.0086	0.322	0.3116
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.5946	0.5884
Brugia malayi	ABC transporter family protein	0.023	1	1
Brugia malayi	ABC transporter	0.0072	0.2545	0.2431
Entamoeba histolytica	P-glycoprotein-2	0.023	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0086	0.322	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0074	0.2667	1
Loa Loa (eye worm)	ABC transporter	0.0074	0.2667	0.2555
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0074	0.2667	0.2495
Brugia malayi	multidrug resistance related protein 1	0.0086	0.322	0.3116
Plasmodium vivax	ABC transporter B family member 5, putative	0.0074	0.2667	0.2495
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0074	0.2667	0.2495
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0074	0.2667	0.2495

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.006 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 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)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	6.5131 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)	9.285 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)	16.5113 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)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	398.1072 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1439653

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1349538