TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 686.433 | Formula: C25H26F3IO9S
H donors: 1 H acceptors: 4 LogP: 4.63 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: C=CCOC1C(O)C(COS(=O)(=O)c2cccc(c2)C(F)(F)F)OC(C1OC(=O)CC)Oc1ccc(cc1)I
InChi: 1S/C25H26F3IO9S/c1-3-12-34-22-21(31)19(14-35-39(32,33)18-7-5-6-15(13-18)25(26,27)28)37-24(23(22)38-20(30)4-2)36-17-10-8-16(29)9-11-17/h3,5-11,13,19,21-24,31H,1,4,12,14H2,2H3
InChiKey: MJKICSZLPFZFTE-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	dihydrofolate reductase DfrA	0.5216	0.6654	0.8988
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0216	0.0236	0.0317
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0216	0.0236	0.0317
Leishmania major	methionyl-tRNA formyltransferase, putative	0.0052	0.0026	0.0026
Mycobacterium tuberculosis	Hypothetical protein	0.2759	0.35	0.472
Mycobacterium tuberculosis	Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt	0.0209	0.0227	0.0293
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0259	0.0291	0.0379
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.7824	1	1
Schistosoma mansoni	heat shock protein	0.0033	0.0002	0.0002
Toxoplasma gondii	heat shock protein 90, putative	0.0033	0.0002	0.0002
Leishmania major	folylpolyglutamate synthetase	0.0216	0.0236	0.0236
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.7824	1	1
Wolbachia endosymbiont of Brugia malayi	phosphoribosylaminoimidazole synthetase	0.0316	0.0365	0.2029
Trypanosoma cruzi	selenophosphate synthetase, putative	0.0107	0.0096	0.0095
Mycobacterium ulcerans	hypothetical protein	0.004	0.0011	0.0015
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Brugia malayi	FolC bifunctional protein	0.0216	0.0236	0.0317
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0011	0.0015
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.0216	0.0236	0.0319
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.0216	0.0236	0.0305
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0011	0.0026
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Wolbachia endosymbiont of Brugia malayi	folate-dependent phosphoribosylglycinamide formyltransferase PurN	0.0052	0.0026	0.0143
Trypanosoma brucei	pteridine reductase 1	0.021	0.0228	0.0226
Schistosoma mansoni	tyrosine kinase	0.0215	0.0235	0.0317
Toxoplasma gondii	selenide, water dikinase	0.0107	0.0096	0.0096
Trypanosoma brucei	methionyl-tRNA formyltransferase	0.0052	0.0026	0.0024
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Mycobacterium ulcerans	phosphoribosylamine--glycine ligase	0.1433	0.1798	0.2429
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0011	0.0026
Echinococcus multilocularis	dihydrofolate reductase	0.5216	0.6654	0.8988
Onchocerca volvulus		0.0043	0.0014	0.0004
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0216	0.0236	0.067
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.58	0.7403	1
Mycobacterium tuberculosis	Probable formyltetrahydrofolate deformylase PurU (formyl-FH(4) hydrolase)	0.0052	0.0026	0.002
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Brugia malayi	dihydrofolate reductase family protein	0.5216	0.6654	0.8988
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.5216	0.6654	0.8986
Brugia malayi	selenium donor protein	0.0107	0.0096	0.0128
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0011	0.0026
Echinococcus granulosus	selenide water dikinase	0.0107	0.0096	0.0128
Loa Loa (eye worm)	hypothetical protein	0.004	0.0011	0.0012
Wolbachia endosymbiont of Brugia malayi	phosphoribosylformylglycinamidine synthase domain-containing protein	0.0107	0.0096	0.0536
Schistosoma mansoni	hypothetical protein	0.019	0.0203	0.0275
Brugia malayi	thymidylate synthase	0.58	0.7403	1
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Schistosoma mansoni	tyrosine kinase	0.021	0.0228	0.0309
Chlamydia trachomatis	dihydrofolate reductase	0.5216	0.6654	1
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0002	0.5
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0002	0.5
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.2759	0.35	0.3499
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.7824	1	1
Brugia malayi	Dihydrofolate reductase	0.5216	0.6654	0.8988
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0011	0.0009
Loa Loa (eye worm)	thymidylate synthase	0.58	0.7403	1
Schistosoma mansoni	dihydrofolate reductase	0.5216	0.6654	0.8988
Brugia malayi	beta-lactamase	0.004	0.0011	0.0012
Echinococcus multilocularis	tyrosine protein kinase shark	0.0215	0.0235	0.0315
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0216	0.0236	0.0236
Brugia malayi	beta-lactamase family protein	0.004	0.0011	0.0012
Loa Loa (eye worm)	dihydrofolate reductase	0.5216	0.6654	0.8988
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0216	0.0236	0.0234
Mycobacterium leprae	PROBABLE THIAMINE-MONOPHOSPHATE KINASE THIL (THIAMINE-PHOSPHATE KINASE)	0.0064	0.0041	0.0041
Mycobacterium leprae	Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf	0.0246	0.0275	0.0357
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0216	0.0236	0.0236
Plasmodium falciparum	methionyl-tRNA formyltransferase, putative	0.0052	0.0026	0.0026
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0011	0.0015
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Mycobacterium ulcerans	lipase LipD	0.004	0.0011	0.0015
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.58	0.7403	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0011	0.0012
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA formyltransferase	0.0052	0.0026	0.0143
Echinococcus granulosus	tyrosine protein kinase shark	0.0215	0.0235	0.0315
Trichomonas vaginalis	esterase, putative	0.004	0.0011	0.0026
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0216	0.0236	0.0305
Onchocerca volvulus		0.0316	0.0365	0.0479
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.7824	1	1
Plasmodium falciparum	heat shock protein 90	0.0033	0.0002	0.0002
Mycobacterium ulcerans	beta-lactamase	0.004	0.0011	0.0015
Schistosoma mansoni	methionyl-tRNA formyltransferase	0.0052	0.0026	0.0035
Onchocerca volvulus		0.58	0.7403	1
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.0216	0.0236	1
Onchocerca volvulus		0.0252	0.0282	0.0367
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0033	0.0002	0.5
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.5216	0.6654	0.8986
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.0216	0.0236	0.0305
Toxoplasma gondii	ABC1 family protein	0.004	0.0011	0.0011
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Mycobacterium leprae	PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II)	0.0107	0.0096	0.0116
Leishmania major	pteridine reductase 1	0.0212	0.0231	0.0231
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0011	0.0012
Schistosoma mansoni	folylpolyglutamate synthase	0.0216	0.0236	0.0319
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0011	0.0012
Loa Loa (eye worm)	hypothetical protein	0.004	0.0011	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.2759	0.35	1
Schistosoma mansoni	selinide water dikinase	0.0107	0.0096	0.013
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.7824	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.58	0.7403	1
Wolbachia endosymbiont of Brugia malayi	AICAR transformylase/IMP cyclohydrolase PurH	0.0246	0.0275	0.1528
Leishmania major	selenophosphate synthetase, putative	0.0107	0.0096	0.0096
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0011	0.0012
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0011	0.0009
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Plasmodium falciparum	selenide water dikinase, putative	0.0107	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.004	0.0011	0.0012
Mycobacterium ulcerans	methionyl-tRNA formyltransferase	0.0052	0.0026	0.0035
Mycobacterium tuberculosis	Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase)	0.0316	0.0365	0.0479
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0011	0.0026
Mycobacterium ulcerans	phosphoribosylformylglycinamidine synthase II	0.0107	0.0096	0.013
Mycobacterium ulcerans	thiamine monophosphate kinase	0.0064	0.0041	0.0056
Brugia malayi	hypothetical protein	0.2759	0.35	0.4727
Mycobacterium ulcerans	thymidylate synthase	0.58	0.7403	1
Toxoplasma gondii	heat shock protein HSP90	0.0033	0.0002	0.0002
Loa Loa (eye worm)	selenium donor protein	0.0107	0.0096	0.0128
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0011	0.0011
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT	0.1433	0.1798	0.2418
Trypanosoma cruzi	selenophosphate synthetase, putative	0.0107	0.0096	0.0095
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0011	0.0012
Plasmodium vivax	endoplasmin, putative	0.0033	0.0002	0.0002
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0216	0.0236	0.0317
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Echinococcus granulosus	dihydrofolate reductase	0.5216	0.6654	0.8988
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0011	0.0026
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0052	0.0026	0.002
Schistosoma mansoni	endoplasmin	0.0033	0.0002	0.0002
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE)	0.0316	0.0365	0.0479
Plasmodium vivax	methionyl-tRNA formyltransferase, putative	0.0052	0.0026	0.0026
Mycobacterium tuberculosis	Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo	0.0246	0.0275	0.0357
Mycobacterium ulcerans	phosphoribosylglycinamide formyltransferase	0.0052	0.0026	0.0035
Trypanosoma cruzi	methionyl-tRNA formyltransferase, putative	0.0052	0.0026	0.0024
Loa Loa (eye worm)	FolC protein	0.0216	0.0236	0.0317
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0011	0.0015
Echinococcus multilocularis	thymidylate synthase	0.58	0.7403	1
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Plasmodium vivax	heat shock protein 86, putative	0.0033	0.0002	0.0002
Echinococcus granulosus	geminin	0.019	0.0203	0.0273
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0216	0.0236	0.0236
Brugia malayi	beta-lactamase family protein	0.004	0.0011	0.0012
Schistosoma mansoni	heat shock protein	0.0033	0.0002	0.0002
Wolbachia endosymbiont of Brugia malayi	phosphoribosylamine--glycine ligase	0.1433	0.1798	1
Schistosoma mansoni	hypothetical protein	0.019	0.0203	0.0275
Mycobacterium ulcerans	bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase	0.0246	0.0275	0.0371
Loa Loa (eye worm)	beta-lactamase	0.004	0.0011	0.0012
Schistosoma mansoni	endoplasmin	0.0033	0.0002	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0011	0.0009
Leishmania major	heat shock protein 83-1	0.0033	0.0002	0.0002
Mycobacterium ulcerans	phosphoribosylaminoimidazole synthetase	0.0316	0.0365	0.0493
Loa Loa (eye worm)	hypothetical protein	0.004	0.0011	0.0012
Leishmania major	hypothetical protein, conserved	0.004	0.0011	0.0011
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0011	0.0015
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0216	0.0236	0.0234
Mycobacterium tuberculosis	Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II)	0.0107	0.0096	0.0116
Trypanosoma brucei	Selenophosphate synthetase 2	0.0107	0.0096	0.0095
Trypanosoma cruzi	methionyl-tRNA formyltransferase, putative	0.0052	0.0026	0.0024
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0216	0.0236	0.0317
Plasmodium vivax	selenophosphate synthetase, putative	0.0107	0.0096	0.0096
Echinococcus granulosus	thymidylate synthase	0.58	0.7403	1
Echinococcus multilocularis	geminin	0.019	0.0203	0.0273
Echinococcus multilocularis		0.0107	0.0096	0.0128
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0216	0.0236	0.0234
Loa Loa (eye worm)	hypothetical protein	0.004	0.0011	0.0012
Toxoplasma gondii	formyl transferase domain-containing protein	0.0052	0.0026	0.0026

Activities

Activity type	Activity value	Assay description	Source	Reference
Apoptosis index (functional)	= 3.82	Apoptosis index was determined against human glioblastoma LN18 cells at 16 microM after total exposure of 10 hours	ChEMBL.	12904064
Apoptosis index (functional)	= 8.97	Apoptosis index was determined against human glioblastoma LNZ308 cells at 16 microM and total exposure time of 10 hours	ChEMBL.	12904064
Efficacy index (functional)	= 0.23	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LN18 cells at 11.3 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 0.24	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LNZ308 cells at 22.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 0.3	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LN18 cells at 22.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 0.93	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LN18 cells at 0 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 0.95	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LNZ308 cells at 0 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 0.99	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LNZ308 cells at 4.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 1.19	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LN18 cells at 4.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 1.23	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LNZ308 cells at 11.3 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 2.03	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LNZ308 cells at 11.3 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 3.51	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LN18 cells at 11.3 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 4.87	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LN18 cells at 4.5 microM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 5	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LNZ308 cells at 4.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 5.09	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LNZ308 cells at 22.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 9.6	Efficacy index was evaluated as ratio of apoptosis index to MTT reduction for human glioblastoma LN18 cells at 22.5 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 9.79	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LNZ308 cells at 0 uM concentration	ChEMBL.	12904064
Efficacy index (functional)	= 16.25	Efficacy index was evaluated as ratio of inhibition of DNA synthesis (3HT incorporation) to inhibition of growth(MTT) for human glioblastoma LN18 cells at 0 microM concentration	ChEMBL.	12904064
IC50 (functional)	= 2.17 uM	Cytotoxicity measured for the growth inhibition of A-431 Human epidermoid carcinoma cell line	ChEMBL.	10743943
IC50 (functional)	= 4.65 uM	Cytotoxicity of compound was measured for the growth inhibition of HT-29 human colon carcinoma cell line	ChEMBL.	10743943
IC50 (functional)	= 7 uM	Glycomer activity determined as growth inhibition of human glioblastoma LN18 cells	ChEMBL.	12904064
IC50 (functional)	= 11.5 uM	Glycomer activity determined as growth inhibition of human glioblastoma LNZ308 cells	ChEMBL.	12904064

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: 297599

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 211415