TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 167.214 | Formula: C9H13FN2
H donors: 1 H acceptors: 1 LogP: 1.94 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(Cc1cc(C)cc(n1)N)[18F]
InChi: 1S/C9H13FN2/c1-6-3-8(5-7(2)10)12-9(11)4-6/h3-4,7H,5H2,1-2H3,(H2,11,12)/i10-1
InChiKey: MBHRCNFCHFHUKZ-LMANFOLPSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0274	0.0725
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0122	0.6565	1
Loa Loa (eye worm)	hexokinase	0.0051	0.1717	0.2629
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.1065	0.0814
Loa Loa (eye worm)	flavodoxin family protein	0.0035	0.0636	0.0974
Onchocerca volvulus		0.0081	0.3774	1
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.1065	0.0814
Plasmodium falciparum	phd finger protein, putative	0.003	0.0274	0.061
Loa Loa (eye worm)	glutathione reductase	0.0048	0.1531	0.2344
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.1531	0.3414
Echinococcus granulosus	hexokinase	0.0081	0.3774	0.3599
Plasmodium falciparum	nitric oxide synthase, putative	0.0091	0.4484	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0699	0.0437
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.2426	0.3715
Echinococcus multilocularis	hexokinase	0.0081	0.3774	0.3599
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0274	0.061
Brugia malayi	FAD binding domain containing protein	0.0056	0.21	0.3217
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.4872	0.4728
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.1531	0.1292
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0008	0.0013
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0091	0.4484	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0747	0.0486
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.011	0.573	0.8342
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0122	0.6565	1
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0035	0.0636	0.1419
Brugia malayi	Hexokinase family protein	0.0051	0.1717	0.2629
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0091	0.4484	1
Echinococcus multilocularis	hexokinase type 2	0.0081	0.3774	0.3599
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0091	0.4484	0.6867
Brugia malayi	Hexokinase family protein	0.0081	0.3774	0.5781
Brugia malayi	jmjC domain containing protein	0.0036	0.0699	0.1071
Brugia malayi	flavodoxin family protein	0.0091	0.4484	0.6867
Brugia malayi	glutathione reductase	0.0048	0.1531	0.2344
Plasmodium vivax	hexokinase, putative	0.0081	0.3774	0.8418
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0091	0.4484	1
Brugia malayi	MH2 domain containing protein	0.0121	0.6529	1
Plasmodium vivax	flavodoxin domain containing protein	0.0081	0.3775	0.842
Leishmania major	hexokinase, putative	0.0081	0.3774	0.8418
Mycobacterium tuberculosis	Probable oxidoreductase	0.0122	0.6565	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0699	0.1071
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0091	0.4484	1
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0091	0.4484	1
Trypanosoma cruzi	hexokinase, putative	0.0081	0.3774	0.8418
Treponema pallidum	hexokinase (hxk)	0.0081	0.3774	1
Trypanosoma cruzi	p450 reductase, putative	0.0091	0.4484	1
Loa Loa (eye worm)	hexokinase	0.0081	0.3774	0.5781
Toxoplasma gondii	hexokinase	0.0081	0.3774	1
Brugia malayi	hexokinase type II	0.0026	0.0008	0.0013
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.011	0.573	0.8342
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0091	0.4484	0.4328
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0035	0.0636	0.1419
Toxoplasma gondii	thioredoxin reductase	0.0048	0.1531	0.4055
Echinococcus granulosus	hexokinase	0.0081	0.3774	0.3599
Trypanosoma cruzi	hexokinase, putative	0.0081	0.3774	0.8418
Echinococcus granulosus	hexokinase	0.0081	0.3774	0.3599
Echinococcus granulosus	methionine synthase reductase	0.0056	0.21	0.1878
Leishmania major	hexokinase, putative	0.0081	0.3774	0.8418
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0699	0.0437
Leishmania major	trypanothione reductase	0.0048	0.1531	0.3414
Trichomonas vaginalis	sulfite reductase, putative	0.0091	0.4484	1
Onchocerca volvulus		0.0051	0.1717	0.4122
Brugia malayi	flavodoxin family protein	0.0035	0.0636	0.0974
Chlamydia trachomatis	sulfite reductase	0.0056	0.21	0.5
Echinococcus granulosus	hexokinase type 2	0.0081	0.3774	0.3599
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0091	0.4484	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0699	0.0437
Entamoeba histolytica	hexokinase 1	0.0081	0.3774	1
Plasmodium falciparum	thioredoxin reductase	0.0048	0.1531	0.3414
Entamoeba histolytica	hexokinase 2	0.0081	0.3774	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.4484	0.6867
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.1531	0.1292
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0274	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0008	0.0013
Schistosoma mansoni	hexokinase	0.0081	0.3774	0.3599
Entamoeba histolytica	hypothetical protein	0.0037	0.0747	0.0353
Mycobacterium tuberculosis	Probable dehydrogenase	0.011	0.573	0.8342
Echinococcus multilocularis	geminin	0.0172	1	1
Plasmodium vivax	glutathione reductase, putative	0.0048	0.1531	0.3414
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0747	0.0486
Loa Loa (eye worm)	hexokinase type II	0.0081	0.3774	0.5781
Entamoeba histolytica	hypothetical protein	0.0037	0.0747	0.0353
Schistosoma mansoni	hypothetical protein	0.0172	1	1
Plasmodium falciparum	glutathione reductase	0.0048	0.1531	0.3414
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0035	0.0636	0.1419
Brugia malayi	PHD-finger family protein	0.003	0.0274	0.0419
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0636	0.1419
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2019	0.3092
Giardia lamblia	Hypothetical protein	0.0081	0.3775	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1718	0.2631
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0091	0.4484	0.4328
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.6529	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.011	0.573	0.8342
Schistosoma mansoni	diflavin oxidoreductase	0.0045	0.1344	0.1101
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0091	0.4484	0.4328
Leishmania major	hypothetical protein, conserved	0.0035	0.0636	0.1419
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0274	0.0419
Echinococcus multilocularis	hexokinase	0.0081	0.3774	0.3599
Echinococcus multilocularis	hexokinase	0.0081	0.3774	0.3599
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0091	0.4484	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0091	0.4484	0.4328
Leishmania major	p450 reductase, putative	0.0091	0.4484	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0045	0.1344	0.3562
Mycobacterium tuberculosis	Probable reductase	0.011	0.573	0.8342
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0056	0.21	0.1878
Loa Loa (eye worm)	hypothetical protein	0.003	0.0274	0.0419
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0091	0.4484	1
Onchocerca volvulus	Hexokinase homolog	0.0051	0.1717	0.4122
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0046	0.1392	0.115
Giardia lamblia	Nitric oxide synthase, inducible	0.0081	0.3775	1
Schistosoma mansoni	hypothetical protein	0.0172	1	1
Trypanosoma brucei	trypanothione reductase	0.0048	0.1531	0.3414
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0035	0.0636	0.1419
Schistosoma mansoni	cytochrome P450 reductase	0.0091	0.4484	0.4328
Brugia malayi	Bromodomain containing protein	0.003	0.0274	0.0419
Brugia malayi	Thioredoxin reductase	0.0048	0.1531	0.2344
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0035	0.0636	0.1419
Brugia malayi	jmjC domain containing protein	0.0097	0.4872	0.7462
Trypanosoma brucei	hexokinase, putative	0.0081	0.3774	0.8418
Trypanosoma brucei	hexokinase	0.0081	0.3774	0.8418
Echinococcus multilocularis	methionine synthase reductase	0.0056	0.21	0.1878
Entamoeba histolytica	hypothetical protein	0.0037	0.0747	0.0353
Toxoplasma gondii	flavodoxin domain-containing protein	0.0045	0.1344	0.3562
Leishmania major	cytochrome P450 reductase, putative	0.0081	0.3775	0.842
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0699	0.0437
Onchocerca volvulus		0.0081	0.3774	1
Brugia malayi	hexokinase	0.0081	0.3774	0.5781
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0747	0.0486
Trypanosoma brucei	hexokinase	0.0081	0.3774	0.8418
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.1531	0.2344
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0091	0.4484	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.4872	0.4728
Plasmodium falciparum	hexokinase	0.0081	0.3774	0.8418
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.6529	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0747	0.0353
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0122	0.6565	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0747	0.0486
Onchocerca volvulus		0.0081	0.3774	1
Brugia malayi	hypothetical protein	0.0037	0.0747	0.1144
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0056	0.21	0.3217
Loa Loa (eye worm)	hexokinase	0.0081	0.3774	0.5781
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.011	0.573	0.8342
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.3512	0.3329
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0035	0.0636	0.1419
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0081	0.3775	0.8159
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0091	0.4484	1
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.1531	0.3414
Brugia malayi	FAD binding domain containing protein	0.0091	0.4484	0.6867

Activities

Activity type	Activity value	Assay description	Source	Reference
Drug uptake (ADMET)	= 0.07 % ID/g	Biodistribution in LPS treated C57BL/6N mouse brain at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.07 % ID/g	Biodistribution in C57BL/6N mouse brain at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.08 % ID/g	Biodistribution in C57BL/6N mouse heart at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.11 % ID/g	Biodistribution in C57BL/6N mouse brain at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.12 % ID/g	Biodistribution in LPS treated C57BL/6N mouse heart at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.15 % ID/g	Biodistribution in C57BL/6N mouse lung at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.18 % ID/g	Biodistribution in LPS treated C57BL/6N mouse lung at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.19 % ID/g	Biodistribution in C57BL/6N mouse heart at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.19 % ID/g	Biodistribution in LPS treated C57BL/6N mouse brain at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.23 % ID/g	Biodistribution in LPS treated C57BL/6N mouse blood at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.23 % ID/g	Biodistribution in LPS treated C57BL/6N mouse muscle at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.27 % ID/g	Biodistribution in C57BL/6N mouse blood at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.27 % ID/g	Biodistribution in C57BL/6N mouse muscle at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.28 % ID/g	Biodistribution in C57BL/6N mouse brain at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.31 % ID/g	Biodistribution in C57BL/6N mouse blood at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.31 % ID/g	Biodistribution in C57BL/6N mouse lung at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.34 % ID/g	Biodistribution in C57BL/6N mouse muscle at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.41 % ID/g	Biodistribution in LPS treated C57BL/6N mouse heart at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.42 % ID/g	Biodistribution in LPS treated C57BL/6N mouse liver at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.52 % ID/g	Biodistribution in LPS treated C57BL/6N mouse brain at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.6 % ID/g	Biodistribution in C57BL/6N mouse heart at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.71 % ID/g	Biodistribution in C57BL/6N mouse muscle at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.73 % ID/g	Biodistribution in LPS treated C57BL/6N mouse lung at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.74 % ID/g	Biodistribution in C57BL/6N mouse liver at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.78 % ID/g	Biodistribution in LPS treated C57BL/6N mouse muscle at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.8 % ID/g	Biodistribution in C57BL/6N mouse kidney at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.86 % ID/g	Biodistribution in LPS treated C57BL/6N mouse blood at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 0.91 % ID/g	Biodistribution in LPS treated C57BL/6N mouse kidney at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.02 % ID/g	Biodistribution in LPS treated C57BL/6N mouse heart at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.06 % ID/g	Biodistribution in LPS treated C57BL/6N mouse muscle at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.14 % ID/g	Biodistribution in C57BL/6N mouse lung at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.22 % ID/g	Biodistribution in C57BL/6N mouse blood at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.25 % ID/g	Biodistribution in C57BL/6N mouse muscle at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.5 % ID/g	Biodistribution in C57BL/6N mouse heart at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.52 % ID/g	Biodistribution in C57BL/6N mouse bone at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.59 % ID/g	Biodistribution in LPS treated C57BL/6N mouse bone at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.6 % ID/g	Biodistribution in C57BL/6N mouse brain at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.64 % ID/g	Biodistribution in LPS treated C57BL/6N mouse muscle at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.81 % ID/g	Biodistribution in LPS treated C57BL/6N mouse brain at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 1.84 % ID/g	Biodistribution in LPS treated C57BL/6N mouse lung at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.03 % ID/g	Biodistribution in LPS treated C57BL/6N mouse heart at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.09 % ID/g	Biodistribution in LPS treated C57BL/6N mouse blood at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.2 % ID/g	Biodistribution in C57BL/6N mouse kidney at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.26 % ID/g	Biodistribution in C57BL/6N mouse bone at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.37 % ID/g	Biodistribution in C57BL/6N mouse blood at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.57 % ID/g	Biodistribution in C57BL/6N mouse bone at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.59 % ID/g	Biodistribution in C57BL/6N mouse liver at 50 uCi/110 uL, iv after 1 hr	ChEMBL.	19323559
Drug uptake (ADMET)	= 2.63 % ID/g	Biodistribution in LPS treated C57BL/6N mouse liver at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 3.33 % ID/g	Biodistribution in C57BL/6N mouse lung at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 3.69 % ID/g	Biodistribution in LPS treated C57BL/6N mouse blood at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 3.7 % ID/g	Biodistribution in LPS treated C57BL/6N mouse bone at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 3.77 % ID/g	Biodistribution in LPS treated C57BL/6N mouse bone at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 2 hrs post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 3.95 % ID/g	Biodistribution in LPS treated C57BL/6N mouse kidney at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 4.3 % ID/g	Biodistribution in LPS treated C57BL/6N mouse bone at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 1 hr post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 4.32 % ID/g	Biodistribution in LPS treated C57BL/6N mouse lung at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 5.59 % ID/g	Biodistribution in C57BL/6N mouse bone at 50 uCi/110 uL, iv after 2 hrs	ChEMBL.	19323559
Drug uptake (ADMET)	= 7.06 % ID/g	Biodistribution in LPS treated C57BL/6N mouse liver at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 7.3 % ID/g	Biodistribution in C57BL/6N mouse kidney at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 10.7 % ID/g	Biodistribution in C57BL/6N mouse liver at 50 uCi/110 uL, iv after 30 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 10.9 % ID/g	Biodistribution in LPS treated C57BL/6N mouse kidney at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 30 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 20.6 % ID/g	Biodistribution in C57BL/6N mouse kidney at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559
Drug uptake (ADMET)	= 24.6 % ID/g	Biodistribution in LPS treated C57BL/6N mouse liver at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 26.7 % ID/g	Biodistribution in LPS treated C57BL/6N mouse kidney at 50 uCi/110 uL, iv administered 6 hrs before LPS challenge measured after 5 mins post drug dose	ChEMBL.	19323559
Drug uptake (ADMET)	= 33.2 % ID/g	Biodistribution in C57BL/6N mouse liver at 50 uCi/110 uL, iv after 5 mins	ChEMBL.	19323559

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.

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External resources for this compound

ChEMBL: CHEMBL449721

Bibliographic References

No literature references available for this target.

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Detailed information for compound 957093