TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.611 | Formula: C28H38N2O7
H donors: 3 H acceptors: 6 LogP: 4.43 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCC(c1ccc(n1C)C(=O)N[C@H](C(=O)O)CC(=O)O)(c1ccc(c(c1)C)OCC(=O)C(C)(C)C)CC
InChi: 1S/C28H38N2O7/c1-8-28(9-2,18-10-12-21(17(3)14-18)37-16-23(31)27(4,5)6)22-13-11-20(30(22)7)25(34)29-19(26(35)36)15-24(32)33/h10-14,19H,8-9,15-16H2,1-7H3,(H,29,34)(H,32,33)(H,35,36)/t19-/m0/s1
InChiKey: BLMYLSYQAWKDES-IBGZPJMESA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	vitamin D (1,25- dihydroxyvitamin D3) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	steroid hormone receptor	vitamin D (1,25- dihydroxyvitamin D3) receptor	427 aa	416 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0067	0.0124	0.5444
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0076	0.0142	0.6278
Loa Loa (eye worm)	thioredoxin reductase	0.003	0.0039	0.0039
Leishmania major	phosphoglycerate mutase protein, putative	0.0076	0.0142	0.0136
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4397	0.9831	0.9831
Brugia malayi	phosphoglycerate mutase family protein	0.0076	0.0142	1
Mycobacterium ulcerans	acid phosphatase	0.0076	0.0142	0.0232
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0015	0.0006	0.5
Leishmania major	hypothetical protein, conserved	0.0076	0.0142	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0142	0.0142
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0076	0.0142	0.0136
Schistosoma mansoni	hypothetical protein	0.0076	0.0142	0.0142
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0076	0.0142	0.0136
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Leishmania major	hypothetical protein, conserved	0.0076	0.0142	0.0136
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0142	0.2846
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0076	0.0142	0.6278
Onchocerca volvulus		0.0076	0.0142	0.0142
Trypanosoma cruzi	trypanothione reductase, putative	0.003	0.0039	0.0033
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0015	0.0006	0.0006
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0076	0.0142	0.0232
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0076	0.0142	0.0142
Plasmodium vivax	thioredoxin reductase, putative	0.003	0.0039	0.2444
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0076	0.0142	0.2846
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0076	0.0142	0.183
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0228	0.0485	0.0814
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0076	0.0142	0.2846
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0076	0.0142	0.0232
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0076	0.0142	0.0136
Loa Loa (eye worm)	hypothetical protein	0.2564	0.5721	0.5721
Plasmodium vivax	phosphoglycerate mutase, putative	0.0076	0.0142	1
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0076	0.0142	0.0136
Schistosoma mansoni	hypothetical protein	0.0076	0.0142	0.0142
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.264	0.5891	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0112	0.0223	1
Onchocerca volvulus		0.0076	0.0142	0.0142
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0015	0.0006	0.0006
Giardia lamblia	Hypothetical protein	0.264	0.5891	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0067	0.0124	0.5444
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0142	0.0232
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0076	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0142	0.0142
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0076	0.0142	0.0232
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1909	0.4251	0.4248
Leishmania major	phosphoglycerate mutase, putative	0.0076	0.0142	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0142	0.0142
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Mycobacterium ulcerans	phosphoglycerate mutase	0.0076	0.0142	0.0232
Schistosoma mansoni	hypothetical protein	0.0076	0.0142	0.0142
Echinococcus granulosus	phosphoglycerate mutase	0.0076	0.0142	0.0142
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0075	0.0141	0.1705
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0142	0.183
Treponema pallidum	phosphoglyceromutase	0.0076	0.0142	0.2846
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0036	0.0053	0.0053
Brugia malayi	UBASH3A protein homolog	0.0076	0.0142	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0076	0.0142	0.0142
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0076	0.0142	0.0136
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0076	0.0142	0.5
Giardia lamblia	Hypothetical protein	0.264	0.5891	1
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0076	0.0142	0.0136
Echinococcus granulosus	geminin	0.0132	0.0269	0.0269
Plasmodium falciparum	glutathione reductase	0.003	0.0039	0.2444
Brugia malayi	Thioredoxin reductase	0.003	0.0039	0.2742
Echinococcus granulosus	phosphoglycerate mutase	0.0076	0.0142	0.0142
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0036	0.0053	0.3719
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0076	0.0142	0.6278
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0228	0.0485	0.0814
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0036	0.0053	0.0053
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0142	0.6278
Schistosoma mansoni	hypothetical protein	0.0076	0.0142	0.0142
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0076	0.0142	0.0136
Mycobacterium ulcerans	hydrolase MutT1	0.0076	0.0142	0.0232
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Schistosoma mansoni	ap endonuclease	0.0015	0.0006	0.0006
Onchocerca volvulus	Protein UBASH3A homolog	0.0076	0.0142	0.0142
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0112	0.0223	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0076	0.0142	0.0142
Loa Loa (eye worm)	glutathione reductase	0.003	0.0039	0.0039
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1909	0.4251	0.4248
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0112	0.0223	0.0369
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0036	0.0053	0.0053
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0036	0.0053	0.0053
Leishmania major	hypothetical protein, unknown function	0.0076	0.0142	0.0136
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0076	0.0142	0.0136
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0076	0.0142	0.183
Plasmodium falciparum	phosphoglucomutase-2	0.0076	0.0142	1
Echinococcus granulosus	phosphoglycerate mutase	0.0076	0.0142	0.0142
Mycobacterium ulcerans	hypothetical protein	0.264	0.5891	1
Brugia malayi	phosphoglycerate mutase family protein	0.0076	0.0142	1
Loa Loa (eye worm)	hypothetical protein	0.4473	1	1
Plasmodium falciparum	thioredoxin reductase	0.003	0.0039	0.2444
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0076	0.0142	0.0136
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.003	0.0039	0.1534
Echinococcus multilocularis	phosphoglycerate mutase	0.0076	0.0142	0.0142
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0142	0.6278
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0076	0.0142	0.6278
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.4397	0.9831	0.9831
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Loa Loa (eye worm)	hypothetical protein	0.4397	0.9831	0.9831
Leishmania major	trypanothione reductase	0.003	0.0039	0.0033
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0076	0.0142	0.183
Echinococcus granulosus	phosphoglycerate mutase	0.0076	0.0142	0.0142
Leishmania major	hypothetical protein, conserved	0.0076	0.0142	0.0136
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0076	0.0142	0.6278
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Mycobacterium ulcerans	phosphoglyceromutase	0.0076	0.0142	0.0232
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0076	0.0142	0.0136
Plasmodium vivax	glutathione reductase, putative	0.003	0.0039	0.2444
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0142	0.183
Onchocerca volvulus		0.0076	0.0142	0.0142
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0142	0.183
Giardia lamblia	Fructose-bisphosphate aldolase	0.0228	0.0485	0.0814
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.4397	0.9831	0.9831
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0076	0.0142	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0067	0.0124	0.5444
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0076	0.0142	0.0136
Brugia malayi	exodeoxyribonuclease III family protein	0.0015	0.0006	0.0394
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1909	0.4251	0.4248
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0142	0.2846
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0076	0.0142	0.6278
Echinococcus granulosus	phosphoglycerate mutase	0.0076	0.0142	0.0142
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0036	0.0053	0.0053
Treponema pallidum	fructose-bisphosphate aldolase	0.0228	0.0485	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0076	0.0142	0.0142
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0076	0.0142	0.0142
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4473	1	1
Mycobacterium ulcerans	phosphoglycerate mutase	0.0076	0.0142	0.0232
Echinococcus granulosus	thioredoxin glutathione reductase	0.003	0.004	0.004
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0076	0.0142	1
Schistosoma mansoni	hypothetical protein	0.0076	0.0142	0.0142
Echinococcus multilocularis	thioredoxin glutathione reductase	0.003	0.004	0.004
Mycobacterium ulcerans	lipoprotein LpqD	0.0076	0.0142	0.0232
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0076	0.0142	1
Mycobacterium leprae	probable isochorismate synthase EntC	0.0076	0.0142	0.183
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0015	0.0006	0.0006
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4473	1	1
Schistosoma mansoni	hypothetical protein	0.0076	0.0142	0.0142
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0076	0.0142	0.2846
Toxoplasma gondii	thioredoxin reductase	0.003	0.0039	0.2444
Onchocerca volvulus	Protein UBASH3A homolog	0.0076	0.0142	0.0142
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Schistosoma mansoni	phosphoglycerate mutase	0.0076	0.0142	0.0142
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0076	0.0142	0.0136
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0076	0.0142	0.0142
Schistosoma mansoni	hypothetical protein	0.0132	0.0269	0.0269
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0076	0.0142	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0036	0.0053	0.0053
Onchocerca volvulus	Protein UBASH3A homolog	0.0076	0.0142	0.0142
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0076	0.0142	0.183
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0142	0.0142
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0076	0.0142	0.2846
Echinococcus multilocularis	phosphoglycerate mutase	0.0076	0.0142	0.0142
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4473	1	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0076	0.0142	0.0136
Toxoplasma gondii	phosphoglycerate mutase	0.0076	0.0142	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0067	0.0124	0.5444
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0036	0.0053	0.0053
Trypanosoma brucei	trypanothione reductase	0.003	0.0039	0.0033
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0076	0.0142	0.0136
Mycobacterium tuberculosis	Probable dehydrogenase	0.0067	0.0124	0.5444
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0075	0.0141	0.622
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0076	0.0142	0.0136
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.264	0.5891	1
Brugia malayi	glutathione reductase	0.003	0.0039	0.2742
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0076	0.0142	0.0136
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0076	0.0142	0.0136
Loa Loa (eye worm)	phosphoglycerate mutase	0.0076	0.0142	0.0142
Echinococcus multilocularis	phosphoglycerate mutase	0.0076	0.0142	0.0142
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0076	0.0142	1
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0076	0.0142	0.0136
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0076	0.0142	0.6278
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0076	0.0142	0.0232
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0075	0.0141	0.622
Onchocerca volvulus		0.4473	1	1
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.4473	1	1
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0142	0.0232
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.4473	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0075	0.0141	0.622
Echinococcus multilocularis	geminin	0.0132	0.0269	0.0269
Schistosoma mansoni	hypothetical protein	0.0132	0.0269	0.0269
Leishmania major	glycerolphosphate mutase, putative	0.0076	0.0142	0.0136
Schistosoma mansoni	phosphoglycerate mutase	0.0076	0.0142	0.0142
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0076	0.0142	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Mycobacterium tuberculosis	Probable reductase	0.0067	0.0124	0.5444
Plasmodium vivax	phosphoglucomutase-2, putative	0.0076	0.0142	1
Schistosoma mansoni	6-phosphofructokinase	0.4473	1	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1909	0.4251	0.4248
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0076	0.0142	0.0232
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.4397	0.9831	0.9831
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0228	0.0485	1
Schistosoma mansoni	ap endonuclease	0.0015	0.0006	0.0006
Onchocerca volvulus	Protein UBASH3A homolog	0.0076	0.0142	0.0142
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0076	0.0142	0.2846
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0036	0.0053	0.0053
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0076	0.0142	0.183

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 0.41 uM	Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT reduction assay	ChEMBL.	24099996
IC50 (functional)	= 0.16 uM	Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay	ChEMBL.	24099996

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24099996

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: CHEMBL2437049

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 1789262