TDR Targets

Basic information

Technical information

TDR Targets ID: 87490
Name: 8-[(3R,4S)-3-(aminomethyl)-4-(trifluoromethyl )pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-me thyl-4-oxoquinolizine-3-carboxylic acid
MW: 427.393 | Formula: C20H21F4N3O3
H donors: 2 H acceptors: 3 LogP: -0.17 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC[C@@H]1CN(C[C@H]1C(F)(F)F)c1c(F)cn2c(c1C)c(cc(c2=O)C(=O)O)C1CC1
InChi: 1S/C20H21F4N3O3/c1-9-16-12(10-2-3-10)4-13(19(29)30)18(28)27(16)8-15(21)17(9)26-6-11(5-25)14(7-26)20(22,23)24/h4,8,10-11,14H,2-3,5-7,25H2,1H3,(H,29,30)/t11-,14-/m1/s1
InChiKey: YUZIJJUXEOWGHG-BXUZGUMPSA-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

8-[(3R,4S)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
8-[(3R,4S)-3-(aminomethyl)-4-(trifluoromethyl)-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid
8-[(3R,4S)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid
8-[(3R,4S)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid
((3R/S,4S/R)-Aminomethyl-trifluoromethyl-pyrrolidin-1-yl)-cyclopropyl-fluoro-methyl-oxo-4H-quinolizine-3-carboxylic acid
AIDS-094624
AIDS094624

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
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0612	0.0612
Toxoplasma gondii	melibiase subfamily protein	0.0032	0.3609	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0019	0.1898	0.5255
Loa Loa (eye worm)	jmjC domain-containing protein	0.0005	0.0051	0.0051
Plasmodium vivax	DNA topoisomerase II, putative	0.0009	0.0637	0.1735
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0039	0.4571	0.6699
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0029	0.33	1
Schistosoma mansoni	hypothetical protein	0.0009	0.0612	0.0897
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0021	0.2209	0.2046
Plasmodium vivax	DNA gyrase subunit B, putative	0.0014	0.1255	0.3566
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0008	0.0505	0.1397
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0006	0.0205	0.0456
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0029	0.33	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0019	0.1919	0.2768
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0019	0.1919	0.5319
Brugia malayi	Protein kinase domain containing protein	0.0029	0.33	0.33
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Trichomonas vaginalis	glucosylceramidase, putative	0.008	1	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0029	0.33	1
Schistosoma mansoni	hypothetical protein	0.0056	0.6798	1
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0005	0.0051	0.0135
Echinococcus granulosus	dual specificity	0.0029	0.33	0.4816
Schistosoma mansoni	jumonji domain containing protein	0.0005	0.0051	0.0072
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0029	0.33	1
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0014	0.1255	0.3258
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0021	0.2209	0.3247
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.003	0.3427	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0205	0.0205
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0005	0.0043	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0006	0.0205	0.0228
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0039	0.4571	0.6699
Mycobacterium ulcerans	DNA gyrase subunit A	0.003	0.3427	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0018	0.182	0.2674
Trichomonas vaginalis	glucosylceramidase, putative	0.008	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0019	0.1919	0.5319
Plasmodium falciparum	DNA topoisomerase 2	0.0009	0.0637	0.1735
Brugia malayi	Probable DNA topoisomerase II	0.0009	0.0637	0.0637
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0021	0.2209	0.3247
Trichomonas vaginalis	glucosylceramidase, putative	0.008	1	1
Echinococcus multilocularis	geminin	0.0056	0.6798	1
Brugia malayi	intermediate filament protein	0.0008	0.0514	0.0514
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0019	0.1919	0.1919
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0009	0.0637	0.1759
Echinococcus granulosus	lamin	0.0008	0.0514	0.0686
Brugia malayi	exodeoxyribonuclease III family protein	0.0006	0.0205	0.0205
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.003	0.3427	0.9496
Loa Loa (eye worm)	jmjC domain-containing protein	0.0005	0.0051	0.0051
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0008	0.0505	0.1397
Echinococcus multilocularis	tissue type plasminogen activator	0.0009	0.0612	0.0832
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0019	0.1898	0.5685
Schistosoma mansoni	aldehyde dehydrogenase	0.0019	0.1898	0.279
Schistosoma mansoni	ap endonuclease	0.0006	0.0205	0.0298
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0032	0.3609	0.5273
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0029	0.33	0.33
Plasmodium falciparum	DNA gyrase subunit A	0.003	0.3427	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0006	0.0205	0.0205
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0019	0.1898	0.5255
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0032	0.3609	0.5307
Leishmania major	mitochondrial DNA topoisomerase II	0.0014	0.1273	0.376
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0014	0.1273	0.376
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Trichomonas vaginalis	glucosylceramidase, putative	0.008	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0029	0.33	0.4853
Schistosoma mansoni	phosphatidylserine receptor	0.0005	0.0051	0.0072
Plasmodium falciparum	DNA gyrase subunit B	0.0014	0.1255	0.3566
Brugia malayi	jmjC domain containing protein	0.0005	0.0051	0.0051
Onchocerca volvulus		0.0009	0.0612	0.0168
Echinococcus granulosus	lysine specific demethylase 5A	0.0018	0.182	0.2622
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0009	0.0637	0.0637
Onchocerca volvulus	Glucosylceramidase homolog	0.0052	0.6358	1
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0612	0.0612
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0612	0.1727
Echinococcus granulosus	lamin dm0	0.0008	0.0514	0.0686
Echinococcus granulosus	intermediate filament protein	0.0008	0.0514	0.0686
Brugia malayi	jmjC domain containing protein	0.0018	0.182	0.182
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0009	0.0637	0.0211
Echinococcus multilocularis	lysine specific demethylase 5A	0.0018	0.182	0.2622
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0018	0.182	0.2622
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Trichomonas vaginalis	glucosylceramidase, putative	0.008	1	1
Toxoplasma gondii	kringle domain-containing protein	0.0009	0.0612	0.1691
Echinococcus granulosus	tissue type plasminogen activator	0.0009	0.0612	0.0832
Echinococcus multilocularis	musashi	0.0008	0.0514	0.0686
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0019	0.1898	0.5255
Plasmodium falciparum	cysteine repeat modular protein 1	0.0009	0.0612	0.1662
Brugia malayi	Kringle domain containing protein	0.0009	0.0612	0.0612
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0032	0.3609	0.5307
Schistosoma mansoni	intermediate filament proteins	0.0008	0.0514	0.0753
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0019	0.1898	0.2738
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0019	0.1898	0.2738
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0008	0.0505	0.1397
Trichomonas vaginalis	glucosylceramidase, putative	0.0055	0.6732	0.6663
Schistosoma mansoni	hypothetical protein	0.0039	0.4571	0.6723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0008	0.0514	0.0514
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0006	0.0205	0.0474
Echinococcus multilocularis	lamin	0.0008	0.0514	0.0686
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0008	0.0475	0.1311
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0514	0.0514
Echinococcus granulosus	geminin	0.0056	0.6798	1
Chlamydia trachomatis	DNA gyrase subunit A	0.003	0.3427	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0006	0.0205	0.0474
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0006	0.0205	0.0474
Entamoeba histolytica	hypothetical protein	0.0029	0.33	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0019	0.1919	0.5319
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0009	0.0637	0.0868
Brugia malayi	Intermediate filament tail domain containing protein	0.0008	0.0514	0.0514
Schistosoma mansoni	protein phosphatase 2C	0.0005	0.0051	0.0072
Schistosoma mansoni	lamin	0.0008	0.0514	0.0753
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0019	0.1919	0.5749
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0006	0.0205	0.0456
Schistosoma mansoni	hypothetical protein	0.0056	0.6798	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0006	0.0205	0.0474
Brugia malayi	jmjC domain containing protein	0.0005	0.0051	0.0051
Trichomonas vaginalis	glucosylceramidase, putative	0.008	1	1
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0009	0.0637	0.0211
Brugia malayi	jmjC domain containing protein	0.0018	0.182	0.182
Plasmodium vivax	DNA gyrase subunit A, putative	0.003	0.3427	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0006	0.0205	0.0228
Schistosoma mansoni	aldehyde dehydrogenase	0.0019	0.1898	0.279
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0005	0.0051	0.0135
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0019	0.1898	0.5255
Loa Loa (eye worm)	TOPoisomerase family member	0.0009	0.0637	0.0637
Echinococcus multilocularis	dual specificity	0.0029	0.33	0.4816
Loa Loa (eye worm)	intermediate filament protein	0.0008	0.0514	0.0514
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0014	0.1255	0.3258
Leishmania major	hypothetical protein, conserved	0.0009	0.0612	0.1727
Trichomonas vaginalis	glucosylceramidase, putative	0.0055	0.6732	0.6663
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0032	0.3609	0.5307
Loa Loa (eye worm)	hypothetical protein	0.0021	0.2209	0.2209
Mycobacterium ulcerans	DNA gyrase subunit B	0.0014	0.1255	0.3258
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0051
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0009	0.0637	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0205	0.0205
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0016	0.1602	0.1602
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.182	0.182
Loa Loa (eye worm)	jmjC domain-containing protein	0.0005	0.0051	0.0051
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.4986	0.7333
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0009	0.0612	0.1662
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.182	0.2674
Entamoeba histolytica	protein kinase, putative	0.0029	0.33	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.328	0.328
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0019	0.1919	0.2768
Echinococcus multilocularis	lamin dm0	0.0008	0.0514	0.0686
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0032	0.3609	0.5307
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0009	0.0637	0.0637
Brugia malayi	jmjC domain containing protein	0.0005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0029	0.328	0.328
Schistosoma mansoni	lamin	0.0008	0.0514	0.0753
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0032	0.3609	0.5273
Toxoplasma gondii	aldehyde dehydrogenase	0.0019	0.1898	0.5257
Giardia lamblia	DNA topoisomerase II	0.0009	0.0579	1
Schistosoma mansoni	phd/f-box containing protein	0.0005	0.0051	0.0072
Entamoeba histolytica	protein kinase, putative	0.0029	0.33	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0018	0.182	0.2674
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0032	0.3609	0.5273
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0014	0.1255	0.3258
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0493	0.0493
Brugia malayi	jmjC domain containing protein	0.0005	0.0051	0.0051
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0009	0.0637	0.0441
Chlamydia trachomatis	DNA gyrase subunit B	0.0009	0.0619	0.1284
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0018	0.182	0.2622
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Chlamydia trachomatis	DNA gyrase subunit B	0.0014	0.1255	0.3257
Schistosoma mansoni	ap endonuclease	0.0006	0.0205	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0051
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.4986	0.7333
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0019	0.1919	0.282
Leishmania major	DNA topoisomerase ii	0.0008	0.0505	0.1397
Entamoeba histolytica	protein kinase domain containing protein	0.0029	0.33	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0005	0.0051	0.0072
Toxoplasma gondii	exonuclease III APE	0.0006	0.0205	0.0562
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.003	0.3427	1
Entamoeba histolytica	DNA topoisomerase II, putative	0.0009	0.0637	0.1395
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0008	0.0505	0.1397
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0042	0.4986	0.7313
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0009	0.0637	0.0868
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.003	0.3427	1
Trypanosoma brucei	DNA topoisomerase ii	0.0014	0.1273	0.376
Loa Loa (eye worm)	TK/ROR protein kinase	0.0009	0.0612	0.0612
Schistosoma mansoni	DNA topoisomerase II	0.0009	0.0637	0.0934
Trichomonas vaginalis	glucosylceramidase, putative	0.0052	0.6358	0.6281
Brugia malayi	Melibiase family protein	0.0021	0.2209	0.2209
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0014	0.1273	0.376

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (binding)	= 6.5 ug ml-1	Compound was tested for bacterial DNA gyrase activity	ChEMBL.	9873465
CC50 (binding)	= 6.5 ug ml-1	Compound was tested for bacterial DNA gyrase activity	ChEMBL.	9873465
ED50 (functional)	= 0.7 mg kg-1 day-1	Effective dose against S. aureus NCTC10649M in mice upon subcutaneous administration	ChEMBL.	9873465
ED50 (functional)	= 2.6 mg kg-1 day-1	Effective dose against S. aureus NCTC10649M in mice upon peroral administration	ChEMBL.	9873465
MIC (functional)	= 0.01 ug ml-1	Antibacterial activity against Staphylococcus aureus NCTC10649M was determined	ChEMBL.	9873465
MIC (functional)	= 0.01 ug ml-1	Antibacterial activity against Klebsiella pneumoniae ATCC8045 was determined	ChEMBL.	9873465
MIC (functional)	= 0.02 ug ml-1	Antibacterial activity against Enterococcus faecium ATCC8043 was determined	ChEMBL.	9873465
MIC (functional)	= 0.02 ug ml-1	Antibacterial activity against Gram-positive Streptococcus bovis A5169 was determined	ChEMBL.	9873465
MIC (functional)	= 0.02 ug ml-1	Antibacterial activity against Streptococcus pyogenes EES61 was determined	ChEMBL.	9873465
MIC (functional)	= 0.02 ug ml-1	Antibacterial activity against E. coli JUHL was determined	ChEMBL.	9873465
MIC (functional)	= 0.02 ug ml-1	Antibacterial activity against E. coli JUHL was determined	ChEMBL.	9873465
MIC (functional)	= 0.05 ug ml-1	Antibacterial activity against Enterobacter aerogenes ATCC13048 was determined	ChEMBL.	9873465
MIC (functional)	= 0.39 ug ml-1	Antibacterial activity against Pseudomonas aeruginosa A-5007 was determined	ChEMBL.	9873465
MIC (functional)	= 0.78 ug ml-1	Antibacterial activity against Staphylococcus aureus A1775 was determined	ChEMBL.	9873465
MIC (functional)	= 1.56 ug ml-1	Antibacterial activity against Gram-negative Providencia Stuartii CMX640 was determined	ChEMBL.	9873465

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: CHEMBL60539
PubChem: 479641

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 87490