TDR Targets

Basic information

Technical information

TDR Targets ID: 517185
Name: N-[4-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tet rahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl] oxy]propanoylamino]butyl]-7-(diethylamino)-2- oxochromene-3-carboxamide
MW: 631.719 | Formula: C34H41N5O7
H donors: 2 H acceptors: 4 LogP: 3.63 Rotable bonds: 16
Rule of 5 violations (Lipinski): 2
SMILES: CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)NCCCCNC(=O)CCOc1cc2N=C[C@H]3N(C(=O)c2cc1OC)CCC3)CC
InChi: 1S/C34H41N5O7/c1-4-38(5-2)23-11-10-22-17-26(34(43)46-28(22)18-23)32(41)36-14-7-6-13-35-31(40)12-16-45-30-20-27-25(19-29(30)44-3)33(42)39-15-8-9-24(39)21-37-27/h10-11,17-21,24H,4-9,12-16H2,1-3H3,(H,35,40)(H,36,41)/t24-/m0/s1
InChiKey: ZFWPJHVPHGLNTP-DEOSSOPVSA-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

N-[4-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]butyl]-7-(diethylamino)-2-oxo-chromene-3-carboxamide
N-[4-[[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1-oxopropyl]amino]butyl]-7-(diethylamino)-2-oxo-1-benzopyran-3-carboxamide
N-[4-[3-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]butyl]-7-(diethylamino)-2-keto-chromene-3-carboxamide
N-[4-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]butyl]-7-diethylamino-2-oxochromene-3-carboxamide
N-[4-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]butyl]-7-diethylamino-2-oxo-chromene-3-carboxamide
N-[4-[[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1-oxopropyl]amino]butyl]-7-diethylamino-2-oxo-3-chromenecarboxamide
N-[4-[3-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]butyl]-7-diethylamino-2-keto-chromene-3-carboxamide

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
Brugia malayi	ecdysone receptor	0.0035	0.0232	0.0232
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.1102	0.207
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.086	0.1493
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0075	0.1125	0.1125
Schistosoma mansoni	RAR-like nuclear receptor	0.0075	0.1125	0.2126
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0221	0.4435	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Brugia malayi	Nuclear hormone receptor E75	0.0035	0.0232	0.0232
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0075	0.1125	0.2126
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0035	0.0232	0.0232
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.086	0.1493
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0039	0.0328	0.0228
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0075	0.1125	0.2126
Brugia malayi	conserved hypotetical protein	0.0035	0.0232	0.0232
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0075	0.1125	0.1125
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0035	0.0232	0.0232
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.1009	0.5
Brugia malayi	nuclear receptor RXR	0.0035	0.0232	0.0232
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0075	0.1125	0.2126
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0075	0.1125	0.1125
Echinococcus multilocularis	FTZ F1 alpha	0.0075	0.1125	0.2126
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0	0.5
Entamoeba histolytica	hypothetical protein	0.0074	0.1102	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0328	0.0328
Echinococcus granulosus	ecdysone induced protein 78C	0.0075	0.1125	0.2126
Schistosoma mansoni	hypothetical protein	0.0168	0.3247	0.7173
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0069	0.1009	0.1849
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0075	0.1125	0.1125
Echinococcus granulosus	geminin	0.0168	0.3247	0.7173
Brugia malayi	nuclear hormone receptor	0.0075	0.1125	0.1125
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0075	0.1125	0.1125
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0	0.5
Brugia malayi	ecdysteroid receptor	0.0075	0.1125	0.1125
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0075	0.1125	0.2126
Loa Loa (eye worm)	steroid hormone receptor	0.0075	0.1125	0.1125
Onchocerca volvulus	Protein ultraspiracle homolog	0.0075	0.1125	0.1125
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0075	0.1125	0.1125
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0075	0.1125	0.2126
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.1102	0.207
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0624	0.0624
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.086	0.086
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0069	0.1009	0.1009
Echinococcus granulosus	FTZ F1 alpha	0.0075	0.1125	0.2126
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0247	0.0247
Schistosoma mansoni	hypothetical protein	0.0168	0.3247	0.7173
Brugia malayi	nuclear hormone receptor family member odr-7	0.0035	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0075	0.1125	0.2126
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0221	0.4435	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0075	0.1125	0.1125
Schistosoma mansoni	hypothetical protein	0.0036	0.0247	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0624	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0466	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0075	0.1125	0.2126
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0039	0.0328	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0075	0.1125	0.1125
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0075	0.1125	0.2126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0075	0.1125	0.1125
Schistosoma mansoni	hypothetical protein	0.0074	0.1102	0.207
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0328	0.0328
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0069	0.1009	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0075	0.1125	0.1125
Echinococcus granulosus	transcription factor Dp 1	0.004	0.0346	0.0271
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0075	0.1125	0.1125
Onchocerca volvulus		0.0035	0.0232	0.0232
Brugia malayi	hypothetical protein	0.0039	0.0328	0.0328
Schistosoma mansoni	retinoic acid receptor RXR	0.0075	0.1125	0.2126
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.2293	0.4903
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0075	0.1125	0.1125
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0075	0.1125	0.1125
Brugia malayi	Nuclear hormone receptor-like 1	0.0075	0.1125	0.1125
Brugia malayi	steroid hormone receptor	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0075	0.1125	0.1125
Loa Loa (eye worm)	DR-78	0.0035	0.0232	0.0232
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0	0.5
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0035	0.0232	0.0232
Brugia malayi	nuclear receptor NHR-88	0.0035	0.0232	0.0232
Onchocerca volvulus		0.0466	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0075	0.1125	0.2126
Onchocerca volvulus		0.0035	0.0232	0.0232
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.2293	0.4903
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0201	0.3984	0.8927
Brugia malayi	hypothetical protein	0.0074	0.1102	0.1102
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0035	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0069	0.1009	0.9157
Brugia malayi	Nuclear hormone receptor E75	0.0035	0.0232	0.0232
Mycobacterium ulcerans	hypothetical protein	0.0025	0	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.086	0.086
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0247
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0075	0.1125	0.1125
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0035	0.0232	0.0232
Entamoeba histolytica	hypothetical protein	0.0074	0.1102	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0075	0.1125	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0466	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0039	0.0328	0.0228
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0075	0.1125	0.2126
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0	0.5
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0069	0.1009	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.1009	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0221	0.4435	1
Loa Loa (eye worm)	RNA binding protein	0.0063	0.086	0.086
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0075	0.1125	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0221	0.4435	0.4435
Schistosoma mansoni	lozenge	0.0058	0.076	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Brugia malayi	RNA binding protein	0.0063	0.086	0.086
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0328	0.0328
Brugia malayi	nuclear receptor RXR	0.0039	0.0328	0.0328
Brugia malayi	hypothetical protein	0.0035	0.0232	0.0232
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0328	0.0328
Loa Loa (eye worm)	runx1	0.0058	0.076	0.076
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.086	0.1493
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0075	0.1125	0.2126
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0328	0.0328
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0075	0.1125	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0328	0.0328
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0	0.5
Echinococcus multilocularis	Protein lozenge	0.0058	0.076	0.1256
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0039	0.0328	0.0328
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.086	0.1493
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0075	0.1125	0.2126
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0075	0.1125	0.2126
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0075	0.1125	0.1125
Entamoeba histolytica	hypothetical protein	0.0074	0.1102	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0075	0.1125	0.1125
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0069	0.1009	0.1849
Schistosoma mansoni	nuclear hormone receptor	0.0075	0.1125	0.2126
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0075	0.1125	0.2126
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.086	0.086
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0075	0.1125	0.2126
Echinococcus multilocularis	geminin	0.0168	0.3247	0.7173
Brugia malayi	hypothetical protein	0.0039	0.0328	0.0328
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Onchocerca volvulus	Bile acid receptor homolog	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0075	0.1125	0.2126
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0035	0.0232	0.0232
Brugia malayi	nuclear receptor NHR-88	0.0075	0.1125	0.1125
Loa Loa (eye worm)	nuclear hormone receptor	0.0035	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Schistosoma mansoni	thyroid hormone receptor	0.0201	0.3984	0.8927
Brugia malayi	TAR-binding protein	0.0063	0.086	0.086
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Brugia malayi	photoreceptor-specific nuclear receptor	0.0075	0.1125	0.1125
Brugia malayi	nuclear receptor NHR-67	0.0035	0.0232	0.0232
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.086	0.1493
Echinococcus multilocularis	hormone sensitive lipase	0.0221	0.4435	1
Schistosoma mansoni	coup transcription factor	0.0075	0.1125	0.2126
Entamoeba histolytica	hypothetical protein	0.0074	0.1102	1
Schistosoma mansoni	thyroid hormone receptor	0.0201	0.3984	0.8927
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0075	0.1125	0.2126
Echinococcus granulosus	tar DNA binding protein	0.0063	0.086	0.1493
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0075	0.1125	0.2126
Schistosoma mansoni	hypothetical protein	0.0126	0.2293	0.4903
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0624	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0075	0.1125	0.1125
Brugia malayi	orphan nuclear receptor NR2E1	0.0035	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1125	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0328	0.0328
Brugia malayi	nuclear hormone receptor	0.0035	0.0232	0.0232
Brugia malayi	Steroid receptor seven-up type 2	0.0075	0.1125	0.1125
Brugia malayi	hypothetical protein	0.0035	0.0232	0.0232
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.1102	0.207
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.086	0.1493
Onchocerca volvulus		0.0075	0.1125	0.1125
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0069	0.1009	0.1009
Echinococcus granulosus	hormone sensitive lipase	0.0221	0.4435	1
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.0346	0.0271
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0624	0.0624
Brugia malayi	tailless protein	0.0035	0.0232	0.0232
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.1009	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0039	0.0328	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0232	0.0232

Activities

Activity type	Activity value	Assay description	Source	Reference
deltaTm (binding)	= 0.7 degrees C	Binding affinity to calf thymus DNA assessed as thermal denaturation temperature at 20 uM after 4 hrs	ChEMBL.	18280154
deltaTm (binding)	= 0.9 degrees C	Binding affinity to calf thymus DNA assessed as thermal denaturation temperature at 20 uM after 18 hrs	ChEMBL.	18280154
deltaTm (binding)	= 1 degrees C	Binding affinity to calf thymus DNA assessed as thermal denaturation temperature at 20 uM after 72 hrs	ChEMBL.	18280154
IC50 (functional)	> 10 uM	Cytotoxicity against human OVCAR5 cells after 96 hrs by Alamar blue method	ChEMBL.	18280154
IC50 (functional)	> 10 uM	Cytotoxicity against human LOXIMVI cells after 96 hrs by Alamar blue method	ChEMBL.	18280154
IC50 (functional)	> 10 uM	Cytotoxicity against human OVCAR5 cells after 96 hrs by Alamar blue method	ChEMBL.	18280154
IC50 (functional)	> 10 uM	Cytotoxicity against human LOXIMVI cells after 96 hrs by Alamar blue method	ChEMBL.	18280154

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18280154

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

PubChem: 11354134

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 517185