TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 519.607 | Formula: C26H33NO8S
H donors: 2 H acceptors: 5 LogP: 0.16 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CCC(=O)O.COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)SC)N(C)C)cc(c1OC)OC
InChi: 1S/C22H27NO4S.C4H6O4/c1-23(2)16-9-7-13-11-18(25-3)21(26-4)22(27-5)20(13)14-8-10-19(28-6)17(24)12-15(14)16;5-3(6)1-2-4(7)8/h8,10-12,16H,7,9H2,1-6H3;1-2H2,(H,5,6)(H,7,8)/t16-;/m0./s1
InChiKey: ZTGAYAHSKDLFAJ-NTISSMGPSA-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
Schistosoma mansoni	ap endonuclease	0.0019	0.0068	0.0092
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.026	0.6663	0.6663
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1435	0.1435
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0352	0.1003
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.008	0.173	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0352	0.0749
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0026	0.0262	0.0557
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0647	0.3485
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0352	0.0473
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0068	0.0068
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.004	0.0647	0.1375
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0068	0.0145
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0522	0.0522
Brugia malayi	Pre-SET motif family protein	0.0029	0.0352	0.0352
Plasmodium vivax	thioredoxin reductase, putative	0.0042	0.0711	1
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0647	0.2043
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Loa Loa (eye worm)	inositol-1	0.008	0.173	0.173
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.008	0.173	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0352	0.0473
Loa Loa (eye worm)	hypothetical protein	0.014	0.3384	0.3384
Brugia malayi	glutathione reductase	0.0042	0.0711	0.0711
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0068	0.0145
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0832	0.1117
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0832	0.1768
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Schistosoma mansoni	DNA polymerase eta	0.004	0.0647	0.0869
Echinococcus multilocularis	Smad4	0.0026	0.0262	0.0557
Brugia malayi	intermediate filament protein	0.0142	0.3455	0.3455
Trichomonas vaginalis	glucosylceramidase, putative	0.026	0.6663	1
Brugia malayi	Pre-SET motif family protein	0.0204	0.5144	0.5144
Onchocerca volvulus	Glucosylceramidase homolog	0.017	0.4217	0.6946
Schistosoma mansoni	inositol monophosphatase	0.008	0.173	0.2323
Loa Loa (eye worm)	intermediate filament protein	0.0142	0.3455	0.3455
Loa Loa (eye worm)	MH2 domain-containing protein	0.0026	0.0262	0.0262
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0832	0.1768
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0832	0.0862
Brugia malayi	cytoplasmic intermediate filament protein	0.0076	0.1642	0.1642
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.101	0.2145
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0832	0.1117
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0076	0.1642	0.1642
Plasmodium vivax	glutathione reductase, putative	0.0042	0.0711	1
Echinococcus granulosus	intermediate filament protein	0.0142	0.3455	0.7341
Loa Loa (eye worm)	MH1 domain-containing protein	0.0026	0.0262	0.0262
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.004	0.0647	0.0869
Echinococcus granulosus	inositol monophosphatase 1	0.008	0.173	0.3675
Trichomonas vaginalis	DNA polymerase eta, putative	0.004	0.0647	0.0878
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Schistosoma mansoni	lamin	0.0142	0.3455	0.4639
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0832	0.0832
Trypanosoma brucei	unspecified product	0.0028	0.0307	0.1436
Toxoplasma gondii	thioredoxin reductase	0.0042	0.0711	0.2267
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Echinococcus granulosus	smad	0.0026	0.0262	0.0557
Trichomonas vaginalis	inositol monophosphatase, putative	0.008	0.173	0.252
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.008	0.173	0.5862
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.101	0.2145
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0122	0.2903	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0107	0.2493	0.8554
Echinococcus granulosus	thioredoxin glutathione reductase	0.0043	0.0726	0.1543
Trypanosoma brucei	trypanothione reductase	0.0042	0.0711	0.3866
Loa Loa (eye worm)	hypothetical protein	0.0053	0.101	0.101
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0832	0.1768
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0122	0.2903	1
Brugia malayi	Inositol-1	0.008	0.173	0.173
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0188	0.4707	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.008	0.173	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0323	0.0686
Echinococcus granulosus	mothers against decapentaplegic 5	0.0026	0.0262	0.0557
Echinococcus multilocularis	inositol monophosphatase 1	0.008	0.173	0.3675
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0647	0.2043
Echinococcus multilocularis	lamin dm0	0.0142	0.3455	0.7341
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0972	0.0972
Echinococcus multilocularis	muscleblind protein 1	0.0171	0.4241	0.9011
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0972	0.0972
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0026	0.0262	0.0557
Echinococcus granulosus	dna polymerase eta	0.004	0.0647	0.1375
Mycobacterium tuberculosis	Probable oxidoreductase	0.0107	0.2493	0.8554
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.0647	0.0647
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0122	0.2903	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0042	0.0711	0.2267
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0262	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1363	0.1363
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0262	0.0352
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0069	0.1435	0.3048
Schistosoma mansoni	intermediate filament proteins	0.0142	0.3455	0.4639
Loa Loa (eye worm)	thioredoxin reductase	0.0042	0.0711	0.0711
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0352	0.0352
Leishmania major	DNA polymerase kappa, putative	0.004	0.0647	0.2043
Plasmodium vivax	SET domain protein, putative	0.0029	0.0352	0.4425
Schistosoma mansoni	inositol monophosphatase	0.008	0.173	0.2323
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0142	0.3455	0.3455
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.0647	0.2043
Trichomonas vaginalis	glucosylceramidase, putative	0.026	0.6663	1
Trypanosoma brucei	DNA polymerase eta, putative	0.004	0.0647	0.3485
Schistosoma mansoni	ap endonuclease	0.0019	0.0068	0.0092
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0352	0.0749
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0107	0.2493	0.8554
Echinococcus multilocularis	lamin	0.0142	0.3455	0.7341
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0097	0.2197	0.7512
Echinococcus granulosus	Smad4	0.0026	0.0262	0.0557
Brugia malayi	MH2 domain containing protein	0.0026	0.0262	0.0262
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.101	0.2145
Brugia malayi	MH2 domain containing protein	0.0026	0.0262	0.0262
Mycobacterium tuberculosis	Probable dehydrogenase	0.0097	0.2197	0.7512
Brugia malayi	MH1 domain containing protein	0.0026	0.0262	0.0262
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.0647	0.2043
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.004	0.0647	0.0647
Leishmania major	trypanothione reductase	0.0042	0.0711	0.2267
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0972	0.0972
Brugia malayi	Smad1	0.0026	0.0262	0.0262
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.008	0.173	1
Echinococcus granulosus	dna polymerase kappa	0.004	0.0647	0.1375
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.5916	0.8868
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0122	0.2903	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0972	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0522	0.0522
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0352	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4241	0.4241
Schistosoma mansoni	terminal deoxycytidyl transferase	0.004	0.0647	0.0869
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0352	0.0473
Loa Loa (eye worm)	MBCTL1	0.0053	0.101	0.101
Schistosoma mansoni	aldehyde dehydrogenase	0.0122	0.2903	0.3897
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.4469	0.6672
Brugia malayi	Intermediate filament tail domain containing protein	0.0142	0.3455	0.3455
Schistosoma mansoni	lamin	0.0142	0.3455	0.4639
Trichomonas vaginalis	glucosylceramidase, putative	0.026	0.6663	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.004	0.0647	0.0878
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0262	0.0352
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0097	0.2197	0.702
Onchocerca volvulus		0.0142	0.3455	0.5577
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0107	0.2493	1
Trichomonas vaginalis	glucosylceramidase, putative	0.026	0.6663	1
Loa Loa (eye worm)	Smad1	0.0026	0.0262	0.0262
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0647	0.3485
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0068	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Echinococcus multilocularis	musashi	0.0142	0.3455	0.7341
Brugia malayi	Thioredoxin reductase	0.0042	0.0711	0.0711
Brugia malayi	MH1 domain containing protein	0.0026	0.0262	0.0262
Trypanosoma cruzi	DNA polymerase eta, putative	0.004	0.0647	0.3485
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0832	0.0832
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0071	0.1501	0.5057
Schistosoma mansoni	smad	0.0026	0.0262	0.0352
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0307	0.1436
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0832	0.1768
Giardia lamblia	DINP protein human, muc B family	0.004	0.0647	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.5144	0.5144
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0307	0.1436
Echinococcus granulosus	lamin dm0	0.0142	0.3455	0.7341
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Echinococcus multilocularis	smad	0.0026	0.0262	0.0557
Schistosoma mansoni	aldehyde dehydrogenase	0.0122	0.2903	0.3897
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.101	0.2145
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0097	0.2197	0.7512
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.004	0.0647	0.1375
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.0647	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4241	0.4241
Onchocerca volvulus		0.0142	0.3455	0.5577
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.101	0.101
Trichomonas vaginalis	glucosylceramidase, putative	0.026	0.6663	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0122	0.2903	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.004	0.0647	0.3485
Schistosoma mansoni	Smad4	0.0026	0.0262	0.0352
Schistosoma mansoni	hypothetical protein	0.0288	0.7448	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0352	0.0473
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0832	0.1117
Echinococcus multilocularis	dna polymerase kappa	0.004	0.0647	0.1375
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0647	0.3485
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.008	0.173	0.5862
Mycobacterium tuberculosis	Probable reductase	0.0097	0.2197	0.7512
Echinococcus multilocularis	dna polymerase eta	0.004	0.0647	0.1375
Schistosoma mansoni	hypothetical protein	0.0035	0.0522	0.0701
Plasmodium falciparum	thioredoxin reductase	0.0042	0.0711	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0122	0.2903	0.6167
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.008	0.173	0.5862
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.008	0.173	0.252
Onchocerca volvulus		0.0047	0.0832	0.0862
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0307	0.1436
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.008	0.173	1
Echinococcus multilocularis	muscleblind protein	0.0171	0.4241	0.9011
Loa Loa (eye worm)	glutathione reductase	0.0042	0.0711	0.0711
Loa Loa (eye worm)	hypothetical protein	0.004	0.0647	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1363	0.1363
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0188	0.4707	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0026	0.0262	0.0557
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0068	0.0068
Leishmania major	DNA polymerase eta, putative	0.004	0.0647	0.2043
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0026	0.0262	0.0352
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0097	0.2197	0.7512
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.008	0.173	0.252
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.026	0.6663	0.6663
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0647	0.3485
Trypanosoma cruzi	trypanothione reductase, putative	0.0042	0.0711	0.3866
Plasmodium falciparum	glutathione reductase	0.0042	0.0711	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0097	0.2197	0.7512
Toxoplasma gondii	aldehyde dehydrogenase	0.0122	0.2903	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0043	0.0726	0.1543
Echinococcus granulosus	muscleblind protein	0.0171	0.4241	0.9011
Onchocerca volvulus		0.0232	0.5916	1
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.4217	0.6291
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.0647	0.2043
Trypanosoma brucei	unspecified product	0.0028	0.0307	0.1436
Trichomonas vaginalis	glucosylceramidase, putative	0.026	0.6663	1
Brugia malayi	Muscleblind-like protein	0.0171	0.4241	0.4241
Brugia malayi	mbt repeat family protein	0.0047	0.0832	0.0832
Trypanosoma brucei	unspecified product	0.004	0.0647	0.3485
Brugia malayi	mbt repeat family protein	0.0047	0.0832	0.0832
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.101	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0142	0.3455	0.3455
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0069	0.1435	0.3048
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0122	0.2903	0.6167
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.4469	0.6672
Echinococcus granulosus	lamin	0.0142	0.3455	0.7341

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.0129 ug ml-1	Cytotoxicity against human SKBR3 cells after 2 days	ChEMBL.	20542428
ED50 (functional)	= 0.022 ug ml-1	Cytotoxicity against human HCT8 cells after 2 days	ChEMBL.	20542428
ED50 (functional)	= 0.12 ug ml-1	Cytotoxicity against human KB cells after 2 days	ChEMBL.	20542428
ED50 (functional)	= 0.1243 ug ml-1	Cytotoxicity against human DU145 cells after 2 days	ChEMBL.	20542428
ED50 (functional)	= 0.1902 ug ml-1	Cytotoxicity against human A549 cells after 2 days	ChEMBL.	20542428

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: CHEMBL1253933

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1185344