TDR Targets

Basic information

Technical information

TDR Targets ID: 1626611
Name: 3-butan-2-yl-8-[4-(4-fluorophenyl)-4-oxobutyl ]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride
MW: 488.037 | Formula: C27H35ClFN3O2
H donors: 0 H acceptors: 2 LogP: 5.73 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(N1CN(C2(C1=O)CCN(CC2)CCCC(=O)c1ccc(cc1)F)c1ccccc1)C.Cl
InChi: 1S/C27H34FN3O2.ClH/c1-3-21(2)30-20-31(24-8-5-4-6-9-24)27(26(30)33)15-18-29(19-16-27)17-7-10-25(32)22-11-13-23(28)14-12-22;/h4-6,8-9,11-14,21H,3,7,10,15-20H2,1-2H3;1H
InChiKey: YWLLNDLWZAXFHQ-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

8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-3-sec-butyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-sec-butyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride
8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-3-sec-butyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride
3-butan-2-yl-8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride
NSC665771

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
Echinococcus granulosus	Protein kinase C brain isozyme	0.0062	0.0663	0.0344
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0062	0.0663	0.0344
Leishmania major	protein kinase, putative	0.0126	0.3086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.043	0.0075
Schistosoma mansoni	hypothetical protein	0.0054	0.0366	0.0366
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0056	0.043	0.0075
Echinococcus multilocularis	protein kinase c epsilon type	0.0062	0.0663	0.0344
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0126	0.3086	0.3145
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0062	0.0663	0.0344
Echinococcus multilocularis	serine threonine protein kinase	0.0062	0.0663	0.0344
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0126	0.3086	0.3369
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.0663	0.0296
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0282	0.9017	1
Schistosoma mansoni	adenoreceptor	0.0054	0.0366	0.0366
Entamoeba histolytica	protein kinase, putative	0.0126	0.3086	0.4491
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0264	0.8312	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0062	0.0663	0.0344
Schistosoma mansoni	voltage-gated potassium channel	0.0082	0.1414	0.1414
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0054	0.0366	0.5
Brugia malayi	protein kinase C II.	0.0062	0.0663	0.0344
Schistosoma mansoni	voltage-gated potassium channel	0.0082	0.1414	0.1414
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Onchocerca volvulus		0.0054	0.0366	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0308	1	1
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0126	0.3086	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0056	0.043	0.043
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0054	0.0366	0.0366
Schistosoma mansoni	neuropeptide receptor	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6058	0.714
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0056	0.043	0.0075
Trichomonas vaginalis	AGC family protein kinase	0.0126	0.3086	0.3369
Echinococcus multilocularis	Glutaredoxin protein 5	0.0113	0.261	0.2594
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	nervana 2	0.0113	0.261	0.2594
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.0663	0.0296
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0175	0.4961	0.5312
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0126	0.3086	0.4491
Brugia malayi	Protein kinase domain containing protein	0.0062	0.0663	0.0344
Schistosoma mansoni	biogenic amine receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0054	0.0366	0.0366
Brugia malayi	serine/threonine-protein kinase 6	0.0126	0.3086	0.3145
Loa Loa (eye worm)	AUR protein kinase	0.0126	0.3086	0.3145
Onchocerca volvulus		0.0054	0.0366	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0082	0.1414	0.1211
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0058	0.0505	0.0094
Schistosoma mansoni	serine/threonine kinase	0.0062	0.0663	0.0663
Brugia malayi	serine/threonine protein kinase 6	0.0126	0.3086	0.3145
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0062	0.0663	0.0344
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	voltage-gated potassium channel	0.0056	0.043	0.043
Schistosoma mansoni	protein kinase	0.0126	0.3086	0.3086
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0054	0.0366	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0663	0.0344
Schistosoma mansoni	opsin-like receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Onchocerca volvulus		0.0054	0.0366	0.5
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0204	0.6058	0.658
Schistosoma mansoni	opsin-like receptor	0.0054	0.0366	0.0366
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0062	0.0663	0.0344
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Loa Loa (eye worm)	hypothetical protein	0.0245	0.7603	0.8366
Echinococcus multilocularis	protein kinase c iota type	0.0062	0.0663	0.0344
Onchocerca volvulus		0.0054	0.0366	0.5
Trypanosoma cruzi	aurora B kinase, putative	0.0126	0.3086	1
Schistosoma mansoni	atypical protein kinase C	0.0062	0.0663	0.0663
Onchocerca volvulus		0.0054	0.0366	0.5
Onchocerca volvulus		0.0054	0.0366	0.5
Schistosoma mansoni	amine GPCR	0.0054	0.0366	0.0366
Brugia malayi	Protein kinase domain containing protein	0.0204	0.6058	0.658
Echinococcus multilocularis	aurora kinase A	0.0126	0.3086	0.3145
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0056	0.043	0.0075
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0117	0.2769	0.3903
Trichomonas vaginalis	AGC family protein kinase	0.0126	0.3086	0.3369
Echinococcus granulosus	serine:threonine protein kinase N2	0.0062	0.0663	0.0344
Onchocerca volvulus		0.0054	0.0366	0.5
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0056	0.043	0.0075
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0204	0.6058	0.658
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0062	0.0663	0.0344
Onchocerca volvulus		0.0054	0.0366	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	voltage gated potassium channel	0.0082	0.1414	0.1211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0062	0.0663	0.0344
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0062	0.0663	0.0344
Entamoeba histolytica	protein kinase 2, putative	0.0117	0.2769	0.3903
Echinococcus granulosus	protein kinase C gamma type	0.0062	0.0663	0.0344
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Entamoeba histolytica	protein kinase , putative	0.0126	0.3086	0.4491
Onchocerca volvulus		0.0054	0.0366	0.5
Echinococcus granulosus	protein kinase c epsilon type	0.0062	0.0663	0.0344
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0117	0.2769	0.2778
Schistosoma mansoni	growth hormone secretagogue receptor	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0204	0.6058	0.658
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0062	0.0663	0.0344
Loa Loa (eye worm)	AUR protein kinase	0.0126	0.3086	0.3145
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0126	0.3086	0.4491
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0054	0.0366	0.0366
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6058	0.714
Schistosoma mansoni	neuropeptide F-like receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	serine/threonine-protein kinase	0.0117	0.2769	0.2769
Onchocerca volvulus		0.0054	0.0366	0.5
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0062	0.0663	0.0344
Schistosoma mansoni	amine GPCR	0.0054	0.0366	0.0366
Echinococcus granulosus	protein kinase c iota type	0.0062	0.0663	0.0344
Echinococcus granulosus	hyperpolarization activated cyclic	0.0056	0.043	0.0075
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0054	0.0366	0.0366
Entamoeba histolytica	protein kinase, putative	0.0175	0.4961	0.7966
Echinococcus granulosus	serine/threonine protein kinase	0.0117	0.2769	0.2778
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.4961	0.5748
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	nervana 2	0.0113	0.261	0.2594
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Loa Loa (eye worm)	AUR protein kinase	0.0126	0.3086	0.3145
Onchocerca volvulus		0.0054	0.0366	0.5
Onchocerca volvulus		0.0054	0.0366	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0264	0.8312	1
Entamoeba histolytica	protein kinase, putative	0.0175	0.4961	0.7966
Schistosoma mansoni	biogenic amine receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0062	0.0663	0.0344
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0056	0.043	0.0075
Schistosoma mansoni	amine GPCR	0.0054	0.0366	0.0366
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0062	0.0663	0.0344
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0062	0.0663	0.0344
Echinococcus granulosus	nervana 2	0.0113	0.261	0.2594
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0282	0.9017	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.0117	0.2769	0.2778
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0056	0.043	0.043
Schistosoma mansoni	biogenic amine receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0062	0.0663	0.0344
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	rac serine:threonine kinase	0.0117	0.2769	0.2778
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0126	0.3086	0.3145
Schistosoma mansoni	amine GPCR	0.0054	0.0366	0.0366
Onchocerca volvulus		0.0054	0.0366	0.5
Schistosoma mansoni	amine GPCR	0.0054	0.0366	0.0366
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0056	0.043	0.043
Onchocerca volvulus		0.0054	0.0366	0.5
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0204	0.6058	0.658
Echinococcus granulosus	nervana 2	0.0113	0.261	0.2594
Echinococcus granulosus	voltage gated potassium channel	0.0082	0.1414	0.1211
Brugia malayi	p70 ribosomal S6 kinase beta	0.0175	0.4961	0.5312
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0062	0.0663	0.0344
Echinococcus granulosus	NDR protein kinase	0.0062	0.0663	0.0344
Entamoeba histolytica	protein kinase domain containing protein	0.0126	0.3086	0.4491
Schistosoma mansoni	opsin-like receptor	0.0054	0.0366	0.0366
Brugia malayi	Protein kinase domain containing protein	0.0175	0.4961	0.5312
Echinococcus granulosus	Glutaredoxin protein 5	0.0113	0.261	0.2594
Giardia lamblia	Aurora kinase	0.0126	0.3086	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0117	0.2769	0.3903
Onchocerca volvulus		0.0054	0.0366	0.5
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0113	0.261	0.2594
Trichomonas vaginalis	AGC family protein kinase	0.0126	0.3086	0.3369
Schistosoma mansoni	hypothetical protein	0.0054	0.0366	0.0366
Schistosoma mansoni	serine/threonine-protein kinase	0.0117	0.2769	0.2769
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Schistosoma mansoni	serine/threonine protein kinase	0.0204	0.6058	0.6058
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0054	0.0366	0.0366
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.3086	0.3086
Brugia malayi	Hr1 repeat family protein	0.0062	0.0663	0.0344
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0056	0.043	0.0075
Schistosoma mansoni	histamine h1 receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0056	0.043	0.0075
Schistosoma mansoni	neuropeptide receptor	0.0054	0.0366	0.0366
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0175	0.4961	1
Entamoeba histolytica	protein kinase, putative	0.0175	0.4961	0.7966
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0062	0.0663	0.0344
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0056	0.043	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1414	0.1211
Schistosoma mansoni	neuropeptide f receptor 76f	0.0054	0.0366	0.0366
Entamoeba histolytica	protein kinase, putative	0.0126	0.3086	0.4491
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0056	0.043	0.0075
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0282	0.9017	1
Onchocerca volvulus		0.0054	0.0366	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0056	0.043	0.043
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.0663	0.0296
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0126	0.3086	1
Brugia malayi	Protein kinase domain containing protein	0.0062	0.0663	0.0344
Onchocerca volvulus		0.0054	0.0366	0.5
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0126	0.3086	0.4491
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0663	0.0663
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Schistosoma mansoni	neuropeptide receptor	0.0054	0.0366	0.0366
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0204	0.6058	0.658
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6058	0.714
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0282	0.9017	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0054	0.0366	0.0366
Echinococcus granulosus	aurora kinase A	0.0126	0.3086	0.3145
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0056	0.043	0.043
Schistosoma mansoni	myosin xvIII	0.0054	0.0366	0.0366
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Toxoplasma gondii	AGC kinase	0.0175	0.4961	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0056	0.043	0.0075
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.0366	0.0366
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0056	0.043	0.0075
Schistosoma mansoni	hypothetical protein	0.0054	0.0366	0.0366
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0175	0.4961	0.5312
Schistosoma mansoni	neuropeptide receptor	0.0054	0.0366	0.0366
Entamoeba histolytica	protein kinase, putative	0.0204	0.6058	1
Brugia malayi	serine/threonine kinase 12	0.0126	0.3086	0.3145
Schistosoma mansoni	hypothetical protein	0.0054	0.0366	0.0366
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0113	0.261	0.2594
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0117	0.2769	0.2778
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0054	0.0366	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0082	0.1414	0.1211
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0082	0.1414	0.1211
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.0663	0.0296
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0056	0.043	0.0075
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0056	0.043	0.0075

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.033	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.924	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.775	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.447	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.411	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.38	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.322	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.113	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.932	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.834	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1994609

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1626611