TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 218.103 | Formula: C9H11Cl2N2-
H donors: 1 H acceptors: 0 LogP: 2.81 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN/C(=N\C)/c1ccc(cc1)Cl.[Cl-]
InChi: 1S/C9H11ClN2.ClH/c1-11-9(12-2)7-3-5-8(10)6-4-7;/h3-6H,1-2H3,(H,11,12);1H/p-1
InChiKey: PDLBFUDXXCCCBP-UHFFFAOYSA-M

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
Mycobacterium leprae	Probable lipase LipE	0.007	0.0245	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0078	0.0285	0.0269
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0068	0.0233	0.0428
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0051	0.0051
Echinococcus granulosus	lysosomal alpha glucosidase	0.0163	0.0723	0.0675
Loa Loa (eye worm)	hypothetical protein	0.007	0.0245	0.0245
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0245	0.0195
Schistosoma mansoni	pyruvate kinase	0.0033	0.0051	0.0042
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.1957	1	1
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.1957	1	1
Schistosoma mansoni	cpg binding protein	0.0182	0.082	0.0812
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0245	0.0195
Echinococcus multilocularis	GPCR, family 2	0.0078	0.0285	0.0269
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0039	0.0083	0.0032
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0068	0.0233	0.0183
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0068	0.0017
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0068	0.0017
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0246	0.1155	0.1155
Entamoeba histolytica	hypothetical protein	0.0043	0.0102	0.0102
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0364	0.1765	0.1757
Loa Loa (eye worm)	hypothetical protein	0.007	0.0245	0.0245
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1957	1	1
Leishmania major	hypothetical protein, conserved	0.007	0.0245	0.0195
Loa Loa (eye worm)	hypothetical protein	0.007	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.007	0.0245	0.0245
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0056	0.0171	0.0121
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.0245	0.0195
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.0245	0.0457
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.0586	0.0537
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0056	0.0171	0.0171
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.0723	0.0709
Mycobacterium ulcerans	lipase LipD	0.007	0.0245	0.0457
Echinococcus multilocularis	geminin	0.0495	0.2443	0.2431
Mycobacterium tuberculosis	Conserved protein	0.007	0.0245	0.0457
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0068	0.0017
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.0586	0.0577
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0053	0.0156	0.0106
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0056	0.0171	0.0156
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0246	0.1155	0.111
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0245	0.0237
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0068	0.0017
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Echinococcus granulosus	cpg binding protein	0.0182	0.082	0.0773
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.0233	0.0218
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0068	0.0233	0.0224
Toxoplasma gondii	exonuclease III APE	0.0056	0.0171	0.0121
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0043	0.0102	0.0087
Mycobacterium ulcerans	beta-lactamase	0.007	0.0245	0.0457
Schistosoma mansoni	alpha-glucosidase	0.014	0.0606	0.0597
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0039	0.0083	0.0032
Trichomonas vaginalis	ap endonuclease, putative	0.0056	0.0171	0.0121
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.0245	0.0457
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0102	0.0093
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0078	0.0285	0.0276
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0068	0.0017
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.0245	0.0457
Entamoeba histolytica	hypothetical protein	0.0043	0.0102	0.0102
Trichomonas vaginalis	ap endonuclease, putative	0.0056	0.0171	0.0121
Schistosoma mansoni	hypothetical protein	0.0823	0.4138	0.4133
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1155	0.1155
Schistosoma mansoni	hypothetical protein	0.0495	0.2443	0.2436
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0068	0.0017
Toxoplasma gondii	ABC1 family protein	0.007	0.0245	0.0195
Echinococcus multilocularis	cpg binding protein	0.0182	0.082	0.0806
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0068	0.0017
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0163	0.0723	0.0675
Brugia malayi	latrophilin 2 splice variant baaae	0.0168	0.0752	0.0705
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0078	0.0285	0.0285
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0056	0.0171	0.0121
Plasmodium vivax	hypothetical protein, conserved	0.007	0.0245	0.0195
Brugia malayi	beta-lactamase family protein	0.007	0.0245	0.0195
Trichomonas vaginalis	helicase, putative	0.0039	0.0083	0.0032
Mycobacterium ulcerans	hypothetical protein	0.007	0.0245	0.0457
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0245	0.0195
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0245	0.0195
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0056	0.0171	0.0282
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0056	0.0171	0.0121
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.0723	0.0709
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.0245	0.0195
Entamoeba histolytica	hypothetical protein	0.0043	0.0102	0.0102
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0068	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0752	0.0752
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0078	0.0285	0.0235
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0068	0.0017
Brugia malayi	exodeoxyribonuclease III family protein	0.0056	0.0171	0.0121
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.0586	0.0586
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.0233	0.0183
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0051	0.0036
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.1957	1	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0068	0.0017
Entamoeba histolytica	hypothetical protein	0.0043	0.0102	0.0102
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1957	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0068	0.0017
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.0245	0.0457
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0068	0.0017
Mycobacterium ulcerans	hypothetical protein	0.0855	0.4299	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0056	0.0171	0.0121
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.1957	1	1
Echinococcus multilocularis	microtubule associated protein 2	0.0682	0.3406	0.3396
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0325	0.1564	0.152
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0449	0.2205	0.5071
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0051	0.0051
Echinococcus granulosus	GPCR family 2	0.0078	0.0285	0.0235
Echinococcus granulosus	microtubule associated protein 2	0.0682	0.3406	0.3372
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.0233	0.0428
Onchocerca volvulus		0.007	0.0245	0.2702
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Mycobacterium leprae	conserved hypothetical protein	0.007	0.0245	1
Schistosoma mansoni	hypothetical protein	0.0078	0.0285	0.0276
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.1957	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0078	0.0285	0.0235
Trypanosoma brucei	glucosidase, putative	0.0036	0.0068	0.0017
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0068	0.0017
Onchocerca volvulus		0.007	0.0245	0.2702
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0043	0.0102	0.0093
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0068	0.0017
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Onchocerca volvulus		0.0172	0.0769	1
Schistosoma mansoni	alpha glucosidase	0.0036	0.0068	0.0059
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0068	0.0017
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0245	0.0195
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0039	0.0083	0.0032
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0056	0.0171	0.0121
Echinococcus multilocularis		0.1957	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0246	0.1155	0.111
Brugia malayi	F/Y-rich N-terminus family protein	0.0052	0.0153	0.0102
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0245	0.0195
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.0586	0.0537
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Brugia malayi	hypothetical protein	0.0043	0.0102	0.0051
Schistosoma mansoni	hypothetical protein	0.0078	0.0285	0.0276
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.0586	0.0571
Schistosoma mansoni	ap endonuclease	0.0056	0.0171	0.0162
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.0245	0.0195
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0102	0.0087
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0043	0.0102	0.0051
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.0245	0.0457
Echinococcus multilocularis	dnaJ subfamily B	0.0823	0.4138	0.4129
Mycobacterium tuberculosis	Conserved protein	0.007	0.0245	0.0457
Onchocerca volvulus		0.007	0.0245	0.2702
Echinococcus granulosus	geminin	0.0495	0.2443	0.2404
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.0233	0.0428
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0068	0.0017
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0043	0.0102	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Schistosoma mansoni	microtubule-associated protein tau	0.0682	0.3406	0.34
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0056	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0285	0.0285
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0039	0.0083	0.0032
Schistosoma mansoni	pyruvate kinase	0.0033	0.0051	0.0042
Onchocerca volvulus		0.0094	0.0368	0.4414
Schistosoma mansoni	cpg binding protein	0.0182	0.082	0.0812
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0245	0.0237
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.0245	0.0457
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.1957	1	1
Brugia malayi	beta-lactamase family protein	0.007	0.0245	0.0195
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.1957	1	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0102	0.0093
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0056	0.0171	0.0121
Schistosoma mansoni	hypothetical protein	0.0495	0.2443	0.2436
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0039	0.0083	0.0032
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.0586	0.0537
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0056	0.0171	0.0121
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0051	0.0036
Loa Loa (eye worm)	histone methyltransferase	0.0053	0.0156	0.0156
Echinococcus granulosus	dnaJ subfamily B	0.0823	0.4138	0.4108
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.1957	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0051	0.0051
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.0586	0.0571
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0053	0.0156	0.0141
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0068	0.0233	0.0183
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.021	0.021
Loa Loa (eye worm)	hypothetical protein	0.007	0.0245	0.0245
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0051	0.0051
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.0245	0.0245
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0172	0.0769	0.0769
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.1957	1	1
Schistosoma mansoni	hypothetical protein	0.0168	0.0752	0.0744
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0039	0.0083	0.0032
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0068	0.0068
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0051	0.5
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.1957	1	1
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.1957	1	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0056	0.0171	0.0282
Loa Loa (eye worm)	beta-lactamase	0.007	0.0245	0.0245
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0163	0.0723	0.0723
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.1957	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0056	0.0171	0.5
Brugia malayi	beta-lactamase	0.007	0.0245	0.0195
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0078	0.0285	0.0235
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0102	0.0051
Schistosoma mansoni	ap endonuclease	0.0056	0.0171	0.0162
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0068	0.0068
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0043	0.0102	0.0087
Loa Loa (eye worm)	hypothetical protein	0.007	0.0245	0.0245
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0039	0.0083	0.0032
Schistosoma mansoni	alpha-glucosidase	0.014	0.0606	0.0597
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.0245	0.0457
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.0245	0.023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.0586	0.0577
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0245	0.0195
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.0245	0.0457
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0056	0.0171	0.0121
Trichomonas vaginalis	esterase, putative	0.007	0.0245	0.0195
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.0586	0.0577
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0039	0.0083	0.0032
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.1957	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0056	0.0171	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0083	0.0032
Schistosoma mansoni	hypothetical protein	0.0078	0.0285	0.0276
Schistosoma mansoni	cpg binding protein	0.0172	0.0769	0.0761
Mycobacterium tuberculosis	Conserved protein	0.007	0.0245	0.0457
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0078	0.0285	0.0235
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.0245	0.0457
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0855	0.4299	1
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.1957	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0078	0.0285	0.0269
Brugia malayi	CXXC zinc finger family protein	0.0172	0.0769	0.0722

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 6 mg kg-1	Effective dose required to potentiate yohimbine hydrochloride induced lethality in mice, administered intraperitoneally	ChEMBL.	4067998
ED50 (functional)	= 6.2 mg kg-1	Effective dose required to prevent reserpine ptosis in mice, administered orally (po)	ChEMBL.	4067998
ED50 (functional)	= 6.8 mg kg-1	Effective dose required to prevent reserpine ptosis in mice, administered intraperitoneally	ChEMBL.	4067998
LD50 (ADMET)	= 108 mg kg-1	Lethal dose of the compound was determined in mouse i.p.	ChEMBL.	4067998
LD50 (ADMET)	= 200 mg kg-1	Lethal dose of the compound was determined in mouse p.o.	ChEMBL.	4067998
Therapeutic index (ADMET)	= 16	Therapeutic index of the compound administered intraperitoneally in mouse	ChEMBL.	4067998
Therapeutic index (ADMET)	= 32	Therapeutic index of the compound administered perorally in mouse	ChEMBL.	4067998

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: 171488

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 70488