TDR Targets

Basic information

Technical information

TDR Targets ID: 1416586
Name: SMR000164159
MW: 288.317 | Formula: C16H17FN2O2
H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)NCN1C(=O)C2C(C1=O)C1CC2CC1
InChi: 1S/C16H17FN2O2/c17-11-3-5-12(6-4-11)18-8-19-15(20)13-9-1-2-10(7-9)14(13)16(19)21/h3-6,9-10,13-14,18H,1-2,7-8H2
InChiKey: CILZUPZEDAHCLB-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

4-[(4-fluoroanilino)methyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
AK-918/11940292
MLS000545221

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Starlite/ChEMBL	No references
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase		No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium ulcerans	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus multilocularis	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania infantum	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	hypothetical protein	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania braziliensis	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania donovani	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma congolense	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania major	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma japonicum	ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania mexicana	6-phospho-1-fructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0358	0.3005	0.44
Loa Loa (eye worm)	hypothetical protein	0.0773	0.6762	0.6762
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0358	0.3005	0.871
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0954	0.0954
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.026	0.2119	1
Toxoplasma gondii	hypothetical protein	0.0059	0.0299	0.141
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.026	0.2119	0.6913
Brugia malayi	RNA recognition motif domain containing protein	0.0406	0.3442	0.3442
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0035	0.0088	0.0388
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.026	0.2119	0.6913
Brugia malayi	phosphofructokinase	0.0131	0.0954	0.0954
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0231	0.0752
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0198	0.1557	0.5
Schistosoma mansoni	hypothetical protein	0.0773	0.6762	1
Loa Loa (eye worm)	hypothetical protein	0.0358	0.3005	0.3005
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.0409	0.1052
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.0954	0.0954
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.1328	0.4332
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0032	0.0053	0.0053
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.1504	0.7025
Toxoplasma gondii	isocitrate dehydrogenase	0.026	0.2119	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.026	0.2119	0.6097
Schistosoma mansoni	apoptosis regulator bax	0.0054	0.0255	0.0302
Schistosoma mansoni	tar DNA-binding protein	0.0406	0.3442	0.5052
Brugia malayi	TAR-binding protein	0.0406	0.3442	0.3442
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0358	0.3005	0.3005
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0088	0.0388
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0954	0.3112
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0054	0.0255	0.0255
Echinococcus granulosus	tar DNA binding protein	0.0406	0.3442	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0954	1
Schistosoma mansoni	tar DNA-binding protein	0.0406	0.3442	0.5052
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0954	1
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0054	0.0255	0.0598
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0954	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0131	0.0954	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.0409	0.1052
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0032	0.0053	0.0053
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0358	0.3005	0.871
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0131	0.0954	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.3066	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0035	0.0088	0.0388
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0332	0.1083
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0088	0.5
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0231	0.0752
Loa Loa (eye worm)	RNA binding protein	0.0406	0.3442	0.3442
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.026	0.2119	0.6097
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.026	0.2119	0.308
Brugia malayi	jmjC domain containing protein	0.0071	0.0409	0.0409
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.026	0.2119	0.6913
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.1328	0.4332
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0035	0.0088	0.0413
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.026	0.2119	0.6913
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0088	0.0388
Brugia malayi	Latrophilin receptor protein 2	0.0358	0.3005	0.3005
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.3066	1
Loa Loa (eye worm)	hypothetical protein	0.1131	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0088	0.0388
Schistosoma mansoni	tar DNA-binding protein	0.0406	0.3442	0.5052
Echinococcus multilocularis	tar DNA binding protein	0.0406	0.3442	1
Schistosoma mansoni	hypothetical protein	0.0358	0.3005	0.44
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.1328	0.4332
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0409	0.0532
Toxoplasma gondii	6-phosphofructokinase	0.0035	0.0088	0.0413
Echinococcus multilocularis	isocitrate dehydrogenase	0.026	0.2119	0.6097
Brugia malayi	RNA binding protein	0.0406	0.3442	0.3442
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0054	0.0255	0.0302
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0954	0.1344
Echinococcus granulosus	6 phosphofructokinase	0.0131	0.0954	0.266
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0035	0.0088	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.026	0.2119	0.6097
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.026	0.2119	1
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.3066	1
Brugia malayi	Probable isocitrate dehydrogenase	0.0032	0.0053	0.0053
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1131	1	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0088	0.0413
Brugia malayi	isocitrate dehydrogenase	0.026	0.2119	0.2119
Brugia malayi	latrophilin 2 splice variant baaae	0.0773	0.6762	0.6762
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0409	0.0532
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0231	0.0752
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0054	0.0255	0.0598
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.026	0.2119	0.6097
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0088	0.0388
Schistosoma mansoni	hypothetical protein	0.0054	0.0255	0.0302
Brugia malayi	6-phosphofructokinase	0.0131	0.0954	0.0954
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0231	0.0752
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.0409	0.0532
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0054	0.0255	0.0598
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0358	0.3005	0.871
Leishmania major	isocitrate dehydrogenase, putative	0.0032	0.0053	0.0171
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.0954	0.3112
Brugia malayi	Isocitrate dehydrogenase	0.026	0.2119	0.2119
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0358	0.3005	0.871
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0954	1
Schistosoma mansoni	tar DNA-binding protein	0.0406	0.3442	0.5052
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1131	1	1
Echinococcus granulosus	GPCR family 2	0.0358	0.3005	0.871
Loa Loa (eye worm)	TAR-binding protein	0.0406	0.3442	0.3442
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0409	0.0409
Echinococcus multilocularis	6 phosphofructokinase	0.0131	0.0954	0.266
Schistosoma mansoni	hypothetical protein	0.0358	0.3005	0.44
Brugia malayi	6-phosphofructokinase	0.0131	0.0954	0.0954
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.0088	0.0413
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0032	0.0053	0.0053
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0131	0.0954	0.4362
Brugia malayi	Probable isocitrate dehydrogenase	0.0032	0.0053	0.0053
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.0409	0.1052
Brugia malayi	N-terminal motif family protein	0.0198	0.1557	0.1557
Toxoplasma gondii	phosphofructokinase PFKII	0.0035	0.0088	0.0413
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.026	0.2119	0.6097
Brugia malayi	jmjC domain containing protein	0.0071	0.0409	0.0409
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.3066	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0255	0.0302
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.0032	0.0053	0.5
Schistosoma mansoni	hypothetical protein	0.0054	0.0255	0.0302
Echinococcus multilocularis	GPCR, family 2	0.0358	0.3005	0.871
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0032	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0198	0.1557	0.1557
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0053	0.0053
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.026	0.2119	0.6913
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.0954	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.0088	0.0413
Schistosoma mansoni	tar DNA-binding protein	0.0406	0.3442	0.5052
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0255	0.0255
Schistosoma mansoni	hypothetical protein	0.0358	0.3005	0.44
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0088	0.5
Loa Loa (eye worm)	phosphofructokinase	0.0131	0.0954	0.0954
Toxoplasma gondii	isocitrate dehydrogenase	0.026	0.2119	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0088	0.0388
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0358	0.3005	0.3005
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0954	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.026	0.2119	1
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0054	0.0255	0.0598
Loa Loa (eye worm)	apoptosis regulator protein	0.0054	0.0255	0.0255
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.0954	0.1344
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0406	0.3442	0.3442
Mycobacterium ulcerans	6-phosphofructokinase	0.0131	0.0954	0.6209
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.0954	1
Leishmania major	ATP-dependent phosphofructokinase	0.0131	0.0954	0.3112
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.0409	0.1052
Loa Loa (eye worm)	isocitrate dehydrogenase	0.026	0.2119	0.2119
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0088	0.0388
Mycobacterium ulcerans	hypothetical protein	0.0192	0.1504	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0088	0.0413

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.4921 uM	PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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: CHEMBL1572822

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1416586