TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 818.91 | Formula: C46H50N4O10
H donors: 2 H acceptors: 4 LogP: 7.02 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1c1cc(ccc1OC)C(=O)Nc1cc2ccc(c(c2oc1=O)C)OCCCN(C)C)C(=O)Nc1cc2ccc(c(c2oc1=O)C)OCCCN(C)C
InChi: 1S/C46H50N4O10/c1-27-37(57-21-9-19-49(3)4)15-11-29-25-35(45(53)59-41(27)29)47-43(51)31-13-17-39(55-7)33(23-31)34-24-32(14-18-40(34)56-8)44(52)48-36-26-30-12-16-38(58-22-10-20-50(5)6)28(2)42(30)60-46(36)54/h11-18,23-26H,9-10,19-22H2,1-8H3,(H,47,51)(H,48,52)
InChiKey: UNOFQKXOGNSRNM-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

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 ulcerans	aldehyde dehydrogenase	0.0059	0.0298	1
Schistosoma mansoni	hypothetical protein	0.0081	0.059	0.059
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	0.0152
Echinococcus multilocularis	microtubule associated protein 2	0.078	1	1
Echinococcus granulosus	chromobox protein 2	0.0048	0.0148	0.0148
Brugia malayi	SET domain containing protein	0.0052	0.0196	0.023
Brugia malayi	beta-lactamase family protein	0.0038	0.0012	0.0014
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0081	0.059	0.059
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Trichomonas vaginalis	set domain proteins, putative	0.0762	0.9747	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0298	1
Trichomonas vaginalis	conserved hypothetical protein	0.0165	0.1724	0.1768
Brugia malayi	Heterochromatin protein 1	0.0295	0.3468	0.4079
Brugia malayi	hypothetical protein	0.0469	0.5816	0.684
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0081	0.059	0.0694
Trichomonas vaginalis	chromobox protein, putative	0.0178	0.1893	0.1942
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0048	0.0148	0.1753
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0144	0.144	0.144
Echinococcus granulosus	zinc finger protein	0.0084	0.0635	0.0635
Entamoeba histolytica	hypothetical protein	0.0048	0.0148	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0012	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0165	0.0165
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0165	0.1724	0.1758
Echinococcus granulosus	Chromo domain	0.0048	0.0148	0.0148
Onchocerca volvulus		0.005	0.0165	0.0157
Schistosoma mansoni	hypothetical protein	0.0048	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0012	0.0014
Schistosoma mansoni	chromobox protein	0.0295	0.3468	0.3468
Trypanosoma brucei	ISWI complex protein	0.0066	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0012	0.0014
Entamoeba histolytica	hypothetical protein	0.0048	0.0148	1
Brugia malayi	Bromodomain containing protein	0.0165	0.1722	0.2025
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0012	0.0014
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0048	0.0148	0.5
Brugia malayi	beta-lactamase family protein	0.0038	0.0012	0.0014
Leishmania major	hypothetical protein, conserved	0.0038	0.0012	0.0307
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0012	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Trypanosoma cruzi	ISWI complex protein	0.0066	0.0387	1
Echinococcus granulosus	tumor protein p63	0.0338	0.405	0.405
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1857	0.2184
Brugia malayi	hypothetical protein	0.0048	0.0148	0.0174
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.0148	0.0152
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0256	0.2948	0.3467
Schistosoma mansoni	bromodomain containing protein	0.0273	0.3172	0.3172
Schistosoma mansoni	microtubule-associated protein tau	0.078	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0155	0.1584	0.1584
Entamoeba histolytica	hypothetical protein	0.0048	0.0148	1
Echinococcus granulosus	GPCR family 2	0.0081	0.059	0.059
Schistosoma mansoni	zinc finger protein	0.0066	0.0387	0.0387
Echinococcus multilocularis	chromobox protein 1	0.0295	0.3468	0.3468
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Echinococcus multilocularis	zinc finger protein	0.0084	0.0635	0.0635
Echinococcus granulosus	Chromobox protein 3	0.0048	0.0148	0.0148
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0012	0.0012
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0012	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0074	0.0489	0.0489
Brugia malayi	beta-lactamase	0.0038	0.0012	0.0014
Trichomonas vaginalis	chromobox protein, putative	0.0295	0.3468	0.3558
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0048	0.0148	0.1753
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0081	0.059	0.059
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Schistosoma mansoni	hypothetical protein	0.0096	0.0787	0.0787
Loa Loa (eye worm)	hypothetical protein	0.0165	0.1724	0.2027
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	0.0152
Plasmodium vivax	hypothetical protein, conserved	0.0048	0.0148	0.1753
Schistosoma mansoni	chromobox protein	0.0295	0.3468	0.3468
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0048	0.0148	0.0148
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0048	0.0148	0.0148
Loa Loa (eye worm)	helicase	0.0048	0.0148	0.0174
Plasmodium vivax	SET domain protein, putative	0.0096	0.079	1
Trypanosoma cruzi	ISWI complex protein	0.0066	0.0387	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0298	0.0298
Schistosoma mansoni	survival motor neuron protein	0.0096	0.0787	0.0787
Loa Loa (eye worm)	transcription factor SMAD2	0.0243	0.2771	0.3259
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0081	0.059	0.059
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0298	0.0298
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0097	0.0807	0.0807
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.1074	0.1102
Schistosoma mansoni	hypothetical protein	0.0171	0.1796	0.1796
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0057	0.0259	0.0259
Brugia malayi	Protein cec-1.	0.0048	0.0148	0.0174
Echinococcus multilocularis	survival motor neuron protein 1	0.0469	0.5816	0.5816
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0012	0.0012
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0012	0.0012
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0012	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0097	0.0807	0.0807
Echinococcus granulosus	chromobox protein 1	0.0295	0.3468	0.3468
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0669	0.8503	1
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.0148	0.0152
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0298	0.1034
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.0148	0.0152
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0012	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0012	0.0014
Brugia malayi	Bromodomain containing protein	0.0323	0.3852	0.453
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.017	0.178	0.178
Schistosoma mansoni	zinc finger protein	0.0084	0.0635	0.0635
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0298	1
Echinococcus multilocularis	geminin	0.0171	0.1796	0.1796
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0012	0.0012
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0298	0.3673
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0048	0.0148	0.0174
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	0.0152
Loa Loa (eye worm)	MH2 domain-containing protein	0.0243	0.2771	0.3259
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0155	0.1584	0.1584
Schistosoma mansoni	chromobox protein	0.0048	0.0148	0.0148
Brugia malayi	Associated with TFs and helicases family protein	0.0048	0.0148	0.0174
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0096	0.079	0.079
Plasmodium falciparum	heterochromatin protein 1	0.0048	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2948	0.3467
Loa Loa (eye worm)	hypothetical protein	0.0081	0.059	0.0694
Trichomonas vaginalis	Heterochromatin protein, putative	0.0048	0.0148	0.0152
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Trichomonas vaginalis	esterase, putative	0.0038	0.0012	0.0012
Brugia malayi	Pre-SET motif family protein	0.0669	0.8503	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0012	0.0014
Onchocerca volvulus		0.0048	0.0148	0.014
Schistosoma mansoni	hypothetical protein	0.0081	0.059	0.059
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	1
Brugia malayi	Latrophilin receptor protein 2	0.0081	0.059	0.0694
Schistosoma mansoni	hypothetical protein	0.0066	0.0387	0.0387
Schistosoma mansoni	hypothetical protein	0.0175	0.1857	0.1857
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0048	0.0148	0.0148
Leishmania major	hypothetical protein, conserved	0.0066	0.0387	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	0.0152
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0298	0.0298
Echinococcus multilocularis	chromobox protein 2	0.0048	0.0148	0.0148
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0178	0.1893	0.1932
Echinococcus granulosus	geminin	0.0171	0.1796	0.1796
Echinococcus multilocularis	GPCR, family 2	0.0081	0.059	0.059
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0012	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0012	0.0014
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0012	0.0014
Echinococcus granulosus	chromobox protein 1	0.0295	0.3468	0.3468
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0074	0.0489	0.0489
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Schistosoma mansoni	hypothetical protein	0.0089	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Trichomonas vaginalis	conserved hypothetical protein	0.0165	0.1724	0.1768
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0096	0.0787	0.0926
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0295	0.3468	0.4079
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0298	0.0298
Plasmodium vivax	heterochromatin protein 1, putative	0.0048	0.0148	0.1753
Brugia malayi	MH2 domain containing protein	0.0243	0.2771	0.3259
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0048	0.0148	0.0148
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0256	0.2948	0.3467
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0057	0.0259	0.0259
Echinococcus granulosus	fetal alzheimer antigen falz	0.0097	0.0807	0.0807
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0048	0.0148	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0012	0.0012
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0258	0.2964	0.2964
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.017	0.178	0.178
Loa Loa (eye worm)	hypothetical protein	0.005	0.0165	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1863	0.2191
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0081	0.059	0.059
Loa Loa (eye worm)	hypothetical protein	0.0469	0.5816	0.684
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0258	0.2964	0.2964
Loa Loa (eye worm)	hypothetical protein	0.013	0.1243	0.1462
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0074	0.0489	0.0489
Onchocerca volvulus		0.0762	0.9747	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0096	0.079	1
Onchocerca volvulus		0.0096	0.0787	0.0797
Brugia malayi	M-phase phosphoprotein, mpp8	0.0048	0.0148	0.0174
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Echinococcus granulosus	survival motor neuron protein 1	0.0469	0.5816	0.5816
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Brugia malayi	Valyl-tRNA synthetase	0.0048	0.0148	0.0174
Onchocerca volvulus		0.0048	0.0148	0.014
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0012	0.0012
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	0.0152
Trichomonas vaginalis	chromobox protein, putative	0.0178	0.1893	0.1942
Brugia malayi	Pre-SET motif family protein	0.0096	0.079	0.0929
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0096	0.079	0.079
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0244	0.2777	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Echinococcus multilocularis	chromobox protein 1	0.0295	0.3468	0.3468
Brugia malayi	CHD4 protein	0.0057	0.0259	0.0305
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0048	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0081	0.059	0.059
Echinococcus multilocularis	Chromo domain	0.0048	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1974	0.2322
Echinococcus multilocularis	tumor protein p63	0.0338	0.405	0.405
Plasmodium vivax	hypothetical protein, conserved	0.0048	0.0148	0.1753
Trichomonas vaginalis	hypothetical protein	0.0048	0.0148	0.0152
Schistosoma mansoni	chromobox protein	0.0048	0.0148	0.0148
Brugia malayi	chromobox protein homolog 3	0.0165	0.1724	0.2027
Onchocerca volvulus		0.013	0.1243	0.1265
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0012	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.017	0.178	0.178
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Brugia malayi	PHD-finger family protein	0.0107	0.0945	0.1111
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0048	0.0148	0.1753
Schistosoma mansoni	hypothetical protein	0.0171	0.1796	0.1796
Loa Loa (eye worm)	PHD-finger family protein	0.0089	0.0696	0.0819
Loa Loa (eye worm)	CHromoDomain protein family member	0.0057	0.0259	0.0305
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.017	0.178	0.178
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0012	0.0014
Brugia malayi	latrophilin 2 splice variant baaae	0.0175	0.1857	0.2184
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0081	0.059	0.0694
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0057	0.0259	0.0259
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0074	0.0489	0.0489
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0256	0.2948	0.3467
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0092	0.0743	0.0743
Echinococcus multilocularis	Chromobox protein 3	0.0048	0.0148	0.0148
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.1074	0.1102
Loa Loa (eye worm)	bromodomain containing protein	0.0076	0.0524	0.0616
Trichomonas vaginalis	chromobox protein, putative	0.0295	0.3468	0.3558
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0148	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1726	0.203
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0048	0.0148	0.0152
Schistosoma mansoni	hypothetical protein	0.0081	0.059	0.059
Onchocerca volvulus		0.0144	0.144	0.1467
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0298	0.7699
Loa Loa (eye worm)	hypothetical protein	0.017	0.178	0.2093
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0048	0.0148	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0012	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0148	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0305	0.3604	0.4238

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 9.5 uM	Antiproliferative activity against human SKBR3 cells after 72 hrs by MTS/PMS assay	ChEMBL.	21861487
IC50 (functional)	= 11.66 uM	Antiproliferative activity against human MCF7 cells after 72 hrs by MTS/PMS assay	ChEMBL.	21861487
IC50 (functional)	= 62.7 uM	Antiproliferative activity against human HT-29 cells after 72 hrs by MTS/PMS assay	ChEMBL.	21861487
IC50 (functional)	= 93.45 uM	Antiproliferative activity against human A549 cells after 72 hrs by MTS/PMS assay	ChEMBL.	21861487

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21861487

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: CHEMBL1822723

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1038409