TDR Targets

Basic information

Technical information

TDR Targets ID: 332509
Name: 5-(3-chlorothiophen-2-yl)-3-(3,4-dichlorophen yl)-1,2,4-oxadiazole
MW: 331.605 | Formula: C12H5Cl3N2OS
H donors: 0 H acceptors: 2 LogP: 5.06 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(ccc1Cl)c1noc(n1)c1sccc1Cl
InChi: 1S/C12H5Cl3N2OS/c13-7-2-1-6(5-9(7)15)11-16-12(18-17-11)10-8(14)3-4-19-10/h1-5H
InChiKey: QVTGACQBGLBVLV-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

5-(3-chloro-2-thienyl)-3-(3,4-dichlorophenyl)-1,2,4-oxadiazole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	caspase 3, apoptosis-related cysteine peptidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04397 caspase 7, apoptosis-related cysteine protease, putative	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma japonicum	ko:K02187 caspase 3, apoptosis-related cysteine protease, putative	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	caspase	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase 3	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma mansoni	caspase-3 (C14 family)	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma mansoni	caspase-7 (C14 family)	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	caspase 3	Get druggable targets OG5_130238	All targets in OG5_130238

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cell death protein 3 precursor	caspase 3, apoptosis-related cysteine peptidase	277 aa	253 aa	38.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Giardia lamblia	Aldose reductase	0.0067	0.3196	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.105	0.3286
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0104	0.1227
Echinococcus multilocularis	aldo keto reductase	0.0067	0.3196	0.4752
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0104	0.0104
Entamoeba histolytica	aldose reductase, putative	0.0067	0.3196	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.014	0.0439
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0104	0.0324
Onchocerca volvulus		0.0067	0.3196	0.3196
Trypanosoma cruzi	aldo-keto reductase	0.0067	0.3196	1
Loa Loa (eye worm)	oxidoreductase	0.0067	0.3196	0.3196
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.012	0.6726	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0104	0.0324
Trypanosoma brucei	metacaspase	0.0032	0.0844	0.264
Toxoplasma gondii	exonuclease III APE	0.0021	0.0104	0.0324
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0844	0.264
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Leishmania major	DNA polymerase eta, putative	0.005	0.2046	0.6401
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0844	0.264
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Schistosoma mansoni	ap endonuclease	0.0021	0.0104	0.0154
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0844	0.264
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0104	0.0154
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0067	0.3196	1
Echinococcus granulosus	caspase 8	0.0032	0.0844	0.1254
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0104	0.0324
Trichomonas vaginalis	aldo/keto reductase, putative	0.0067	0.3196	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.012	0.6726	1
Giardia lamblia	Aldose reductase	0.0067	0.3196	1
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.014	0.0439
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0844	0.0844
Trichomonas vaginalis	aldo/keto reductase, putative	0.0067	0.3196	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0104	0.0324
Plasmodium vivax	metacaspase 1, putative	0.0032	0.0844	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0844	0.264
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0844	0.0844
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Echinococcus granulosus	hypothetical protein	0.0067	0.3196	0.4752
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.3196	0.3196
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.3196	0.3196
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.014	0.0209
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.014	0.0439
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.014	0.0439
Loa Loa (eye worm)	oxidoreductase	0.0067	0.3196	0.3196
Echinococcus granulosus	caspase	0.012	0.6726	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0844	0.264
Giardia lamblia	DINP protein human, muc B family	0.0022	0.014	0.0119
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.014	0.0439
Loa Loa (eye worm)	oxidoreductase	0.0067	0.3196	0.3196
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Brugia malayi	ImpB/MucB/SamB family protein	0.005	0.2046	0.2046
Leishmania major	DNA polymerase eta, putative	0.0035	0.105	0.3286
Onchocerca volvulus		0.0067	0.3196	0.3196
Schistosoma mansoni	aldo-keto reductase	0.0067	0.3196	0.4752
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Trypanosoma cruzi	DNA polymerase eta, putative	0.005	0.2046	0.6401
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.014	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0067	0.3196	0.3196
Leishmania major	prostaglandin f synthase, putative	0.0067	0.3196	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Echinococcus granulosus	dna polymerase kappa	0.0022	0.014	0.0209
Plasmodium falciparum	metacaspase 1	0.0032	0.0844	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Trypanosoma cruzi	metacaspase 5, putative	0.0032	0.0844	0.264
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0104	0.0324
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0844	0.264
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Loa Loa (eye worm)	oxidoreductase	0.0067	0.3196	0.3196
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Echinococcus multilocularis	caspase 2	0.0032	0.0844	0.1254
Trypanosoma brucei	Metacaspase-4	0.0032	0.0844	0.264
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Schistosoma mansoni	ap endonuclease	0.0021	0.0104	0.0154
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Trypanosoma cruzi	metacaspase 5, putative	0.0032	0.0844	0.264
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Echinococcus granulosus	aldo keto reductase	0.0067	0.3196	0.4752
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.014	0.014
Onchocerca volvulus	Cell death protein 3 homolog	0.0032	0.0844	0.0844
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Echinococcus granulosus	caspase 2	0.0032	0.0844	0.1254
Plasmodium falciparum	metacaspase-like protein	0.0032	0.0844	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0844	0.264
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trypanosoma brucei	metacaspase MCA3	0.0032	0.0844	0.264
Leishmania major	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Loa Loa (eye worm)	hypothetical protein	0.0169	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0844	0.264
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0032	0.0844	0.264
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0104	0.0324
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0067	0.3196	1
Schistosoma mansoni	caspase-7 (C14 family)	0.012	0.6726	1
Onchocerca volvulus		0.0067	0.3196	0.3196
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.014	0.0209
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0104	0.0324
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trypanosoma brucei	aldo-keto reductase, putative	0.0067	0.3196	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0104	0.5
Onchocerca volvulus		0.0169	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Brugia malayi	Cell death protein 3 precursor	0.0032	0.0844	0.0844
Echinococcus multilocularis	dna polymerase eta	0.005	0.2046	0.3041
Entamoeba histolytica	aldose reductase, putative	0.0067	0.3196	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.014	0.0209
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Echinococcus multilocularis	caspase 8	0.0032	0.0844	0.1254
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0104	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0844	0.264
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.3196	0.3196
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0067	0.3196	1
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.014	0.0209
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Schistosoma mansoni	pol-related	0.0067	0.3196	0.4752
Echinococcus granulosus	aldo keto reductase	0.0067	0.3196	0.4752
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0104	0.0154
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Echinococcus multilocularis	aldo keto reductase	0.0067	0.3196	0.4752
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.014	0.0439
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.014	0.0439
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0104	0.0324
Entamoeba histolytica	aldose reductase, putative	0.0067	0.3196	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0032	0.0844	0.264
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.105	0.3286
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0067	0.3196	1
Trypanosoma brucei	metacaspase 5, putative	0.0032	0.0844	0.264
Trypanosoma brucei	prostaglandin f synthase	0.0067	0.3196	1
Mycobacterium ulcerans	oxidoreductase	0.0067	0.3196	1
Echinococcus multilocularis	caspase 3	0.0088	0.4579	0.6808
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.014	0.0439
Loa Loa (eye worm)	oxidoreductase	0.0067	0.3196	0.3196
Echinococcus granulosus	aldo keto reductase	0.0067	0.3196	0.4752
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0067	0.3196	1
Trypanosoma brucei	DNA polymerase eta, putative	0.005	0.2046	0.6401
Onchocerca volvulus		0.0067	0.3196	0.3196
Echinococcus multilocularis	aldo keto reductase	0.0067	0.3196	0.4752
Echinococcus granulosus	dna polymerase eta	0.005	0.2046	0.3041
Trypanosoma cruzi	aldo/keto reductase, putative	0.0067	0.3196	1
Onchocerca volvulus		0.0067	0.3196	0.3196
Leishmania major	aldo-keto reductase-like protein	0.0067	0.3196	1
Echinococcus granulosus	caspase 3	0.0088	0.4579	0.6808
Echinococcus multilocularis	aldo keto reductase	0.0067	0.3196	0.4752
Echinococcus multilocularis	caspase	0.012	0.6726	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.3196	0.4752
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0104	0.0324
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.014	0.0439
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0844	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Schistosoma mansoni	DNA polymerase eta	0.005	0.2046	0.3041
Schistosoma mansoni	caspase-3 (C14 family)	0.012	0.6726	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0844	0.264
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0104	0.1227
Trypanosoma brucei	unspecified product	0.0022	0.014	0.0439
Schistosoma mansoni	aldo-keto reductase	0.0067	0.3196	0.4752
Echinococcus granulosus	aldehyde reductase	0.0048	0.1893	0.2814
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0032	0.0844	0.264
Trypanosoma brucei	metacaspase MCA2	0.0032	0.0844	0.264
Mycobacterium leprae	Conserved hypothetical protein	0.0048	0.1893	0.5922
Leishmania major	metacaspase, putative	0.0032	0.0844	0.264
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.014	0.0439
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.3196	0.3196
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.014	0.014
Trichomonas vaginalis	aldo/keto reductase, putative	0.0067	0.3196	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.014	0.0439
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0032	0.0844	0.1254
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.3196	0.4752
Loa Loa (eye worm)	hypothetical protein	0.005	0.2046	0.2046
Toxoplasma gondii	aldose reductase, putative	0.0067	0.3196	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.3196	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0032	0.0844	0.0844
Schistosoma mansoni	caspase-7 (C14 family)	0.0032	0.0844	0.1254
Onchocerca volvulus		0.0067	0.3196	0.3196
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.014	0.0439
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0104	0.0104
Mycobacterium tuberculosis	Probable oxidoreductase	0.0067	0.3196	1
Echinococcus multilocularis	aldehyde reductase	0.0048	0.1893	0.2814
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0067	0.3196	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0844	0.264

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 0.37 uM	Caspase-3 activation activity tested in DLD1 colon cells done for 24 or 48 h at 37 degree C	ChEMBL.	16078840
EC50 (binding)	= 0.37 uM	Caspase-3 activation activity tested in DLD1 colon cells done for 24 or 48 h at 37 degree C	ChEMBL.	16078840
EC50 (functional)	= 0.37 uM	Induction of apoptosis in human DLD1 cells assessed as caspase activation after 48 hrs	ChEMBL.	19500976
EC50 (functional)	= 1.4 uM	Induction of apoptosis in human T47D cells assessed as caspase activation after 48 hrs	ChEMBL.	19500976
EC50 (binding)	= 1.41 uM	Caspase-3 activation activity tested in T47D breast cells done for 24 or 48 h at 37 degree C	ChEMBL.	16078840
EC50 (binding)	= 1.41 uM	Caspase-3 activation activity tested in T47D breast cells done for 24 or 48 h at 37 degree C	ChEMBL.	16078840
EC50 (binding)	> 10 uM	Caspase-3 activation activity tested in H1299 lung cancer cells done for 24 or 48 h at 37 degree C	ChEMBL.	16078840
EC50 (binding)	> 10 uM	Caspase-3 activation activity tested in H1299 lung cancer cells done for 24 or 48 h at 37 degree C	ChEMBL.	16078840

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19500976

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: CHEMBL371810
PubChem: 11450373

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 332509