TDR Targets

Basic information

Technical information

TDR Targets ID: 167747
Name: 2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N -[2-(4-sulfamoylphenyl)ethyl]acetamide perchl orate
MW: 523.986 | Formula: C23H26ClN3O7S
H donors: 2 H acceptors: 7 LogP: 5.55 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: [O-][Cl](=O)(=O)=O.O=C(C[n+]1c(C)cc(cc1C)c1ccccc1)NCCc1ccc(cc1)S(=O)(=O)N
InChi: 1S/C23H25N3O3S.ClHO4/c1-17-14-21(20-6-4-3-5-7-20)15-18(2)26(17)16-23(27)25-13-12-19-8-10-22(11-9-19)30(24,28)29;2-1(3,4)5/h3-11,14-15H,12-13,16H2,1-2H3,(H2-,24,25,27,28,29);(H,2,3,4,5)
InChiKey: SPYRSDPWOHNRCN-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

2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide perchlorate
2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide perchlorate
2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide perchlorate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	Carbonic anhydrase IV	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus multilocularis	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Putative carbonic anhydrase 5 precursor	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	carbonic anhydrase 3	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania infantum	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania braziliensis	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania mexicana	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus granulosus	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei gambiense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Carbonic anhydrase IV	312 aa	252 aa	23.4 %
Schistosoma mansoni	carbonic anhydrase-related	Carbonic anhydrase IV	312 aa	265 aa	26.0 %
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Carbonic anhydrase IV	312 aa	264 aa	25.4 %
Leishmania braziliensis	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	277 aa	25.6 %
Leishmania mexicana	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	287 aa	26.8 %
Schistosoma mansoni	carbonic anhydrase-related	Carbonic anhydrase IV	312 aa	264 aa	24.2 %
Echinococcus multilocularis	carbonic anhydrase	Carbonic anhydrase IV	312 aa	259 aa	30.1 %
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Carbonic anhydrase IV	312 aa	322 aa	28.3 %
Loa Loa (eye worm)	hypothetical protein	Carbonic anhydrase IV	312 aa	268 aa	25.4 %
Echinococcus granulosus	carbonic anhydrase	Carbonic anhydrase IV	312 aa	304 aa	29.6 %
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Carbonic anhydrase IV	312 aa	253 aa	26.9 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	Carbonic anhydrase IV	312 aa	268 aa	24.6 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase II	260 aa	259 aa	32.0 %
Trypanosoma brucei	carbonic anhydrase-like protein	carbonic anhydrase I	261 aa	281 aa	25.3 %
Leishmania infantum	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	277 aa	26.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Protein kinase domain containing protein	0.0326	0.1892	0.1892
Mycobacterium leprae	Probable transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A)	0.0018	0	0.5
Chlamydia trachomatis	serine/threonine protein kinase	0.0018	0	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0507	0.0507
Schistosoma mansoni	carbonic anhydrase	0.0101	0.0507	0.0507
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0032	0.0083	0.0083
Trichomonas vaginalis	CMGC family protein kinase	0.1646	1	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	0.1205	0.1205
Toxoplasma gondii	hypothetical protein	0.0101	0.0507	0.0507
Mycobacterium tuberculosis	Probable transmembrane serine/threonine-protein kinase E PknE (protein kinase E) (STPK E)	0.0018	0	0.5
Echinococcus multilocularis	cyclin dependent kinase 5	0.0326	0.1892	0.1892
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0326	0.1892	0.1892
Trichomonas vaginalis	CMGC family protein kinase	0.1646	1	1
Chlamydia trachomatis	serine/threonine protein kinase	0.0018	0	0.5
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0032	0.0083	0.0083
Mycobacterium ulcerans	serine/threonine-protein kinase transcriptional regulatory protein PknK_3	0.0018	0	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	0.1205	0.1205
Loa Loa (eye worm)	hypothetical protein	0.0365	0.2129	0.2129
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.1646	1	1
Mycobacterium ulcerans	serine/threonine-protein kinase a PknA	0.0018	0	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0954	0.575	0.575
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0491	0.2906	0.2906
Mycobacterium ulcerans	anchored-membrane serine/threonine-protein kinase PknF	0.0018	0	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.0214	0.1205	0.1205
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0214	0.1205	0.1205
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.1646	1	1
Trichomonas vaginalis	cyclin B, putative	0.0032	0.0083	0.0083
Schistosoma mansoni	hypothetical protein	0.0101	0.0507	0.0507
Schistosoma mansoni	hypothetical protein	0.0034	0.0099	0.0099
Echinococcus multilocularis	cyclin dependent kinase 1	0.0326	0.1892	0.1892
Echinococcus granulosus	mitogen activated protein kinase	0.1646	1	1
Echinococcus granulosus	cyclin dependent kinase	0.0326	0.1892	0.1892
Trichomonas vaginalis	conserved hypothetical protein	0.0355	0.2067	0.2067
Trichomonas vaginalis	cyclins, putative	0.0032	0.0083	0.0083
Schistosoma mansoni	cyclin B	0.0032	0.0083	0.0083
Mycobacterium ulcerans	serine/threonine-protein kinase PknF_2	0.0018	0	0.5
Entamoeba histolytica	cyclin, putative	0.0032	0.0083	0.0438
Trichomonas vaginalis	cyclin B, putative	0.0032	0.0083	0.0083
Trypanosoma brucei	cdc2-related kinase 1	0.0326	0.1892	0.1892
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0326	0.1892	0.1892
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0507	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0507	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0507	0.0507
Giardia lamblia	Kinase, CMGC CDK	0.0326	0.1892	0.1892
Echinococcus multilocularis	mitogen activated protein kinase	0.1646	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1646	1	1
Trichomonas vaginalis	cyclins, putative	0.0032	0.0083	0.0083
Mycobacterium ulcerans	serine/threonine-protein kinase PknG	0.0018	0	0.5
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0326	0.1892	0.1892
Echinococcus granulosus	cyclin dependent kinase 5	0.0326	0.1892	0.1892
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.1646	1	1
Leishmania major	cyclin	0.0032	0.0083	0.0083
Trypanosoma brucei	carbonic anhydrase-like protein	0.0214	0.1205	0.1205
Echinococcus multilocularis	cyclin dependent kinase 1	0.0326	0.1892	0.1892
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	0.1205	0.1205
Mycobacterium tuberculosis	Probable transmembrane serine/threonine-protein kinase I PknI (protein kinase I) (STPK I) (phosphorylase B kinase kinase) (hydro	0.0018	0	0.5
Trichomonas vaginalis	cyclins, putative	0.0022	0.0021	0.0021
Mycobacterium ulcerans	membrane-anchored serine/threonine-protein kinase	0.0018	0	0.5
Trypanosoma cruzi	cyclin 6, putative	0.0032	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0002
Onchocerca volvulus		0.0032	0.0083	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0326	0.1892	0.1892
Trypanosoma cruzi	cyclin, putative	0.0032	0.0083	0.0083
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0196	0.0196
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0365	0.2129	0.2129
Loa Loa (eye worm)	carbonic anhydrase 3	0.0214	0.1205	0.1205
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0507	0.0507
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.1646	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0326	0.1892	1
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0032	0.0083	0.0083
Trichomonas vaginalis	cyclin A, putative	0.0032	0.0083	0.0083
Trichomonas vaginalis	CMGC family protein kinase	0.1646	1	1
Mycobacterium tuberculosis	Anchored-membrane serine/threonine-protein kinase PknF (protein kinase F) (STPK F)	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0083	0.0083
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0326	0.1892	0.1892
Trypanosoma brucei	mitotic cyclin 6	0.0032	0.0083	0.0083
Echinococcus multilocularis	calcium activated potassium channel	0.0028	0.0061	0.0061
Trichomonas vaginalis	cyclins, putative	0.0032	0.0083	0.0083
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.1646	1	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0032	0.0083	0.0083
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0032	0.0083	0.0083
Echinococcus granulosus	calcium activated potassium channel	0.0028	0.0061	0.0061
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0018	0	0.5
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0326	0.1892	0.1892
Trichomonas vaginalis	CMGC family protein kinase	0.0326	0.1892	0.1892
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0507	0.0507
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0101	0.0507	0.0507
Echinococcus multilocularis	mitogen activated protein kinase 3	0.1646	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0196	0.0196
Trypanosoma brucei	protein kinase, putative	0.1646	1	1
Mycobacterium tuberculosis	Probable transmembrane serine/threonine-protein kinase H PknH (protein kinase H) (STPK H)	0.0018	0	0.5
Trypanosoma cruzi	cdc2-related kinase 1	0.0326	0.1892	0.1892
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	0.1205	0.1205
Chlamydia trachomatis	serine/threonine-protein kinase	0.0018	0	0.5
Mycobacterium tuberculosis	Transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A)	0.0018	0	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0507	0.0507
Echinococcus multilocularis	cyclin dependent kinase	0.0326	0.1892	0.1892
Mycobacterium leprae	PROBABLE TRANSMEMBRANE SERINE/THREONINE-PROTEIN KINASE L PKNL (PROTEIN KINASE L) (STPK L)	0.0018	0	0.5
Brugia malayi	cell division control protein 2 homolog	0.0326	0.1892	0.1892
Giardia lamblia	Kinase, CMGC MAPK	0.1646	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0954	0.575	0.575
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.1646	1	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0326	0.1892	0.1892
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0214	0.1205	0.1205
Echinococcus granulosus	mitogen activated protein kinase 3	0.1646	1	1
Giardia lamblia	Kinase, CMGC CDK	0.0326	0.1892	0.1892
Plasmodium falciparum	protein kinase 5	0.0326	0.1892	1
Echinococcus granulosus	carbonic anhydrase II	0.0214	0.1205	0.1205
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.1646	1	1
Mycobacterium tuberculosis	Serine/threonine-protein kinase transcriptional regulatory protein PknK (protein kinase K) (STPK K)	0.0018	0	0.5
Mycobacterium ulcerans	transmembrane serine/threonine-protein kinase PknQ	0.0018	0	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0954	0.575	0.575
Echinococcus granulosus	cyclin B	0.0032	0.0083	0.0083
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0507	0.0507
Echinococcus multilocularis	cyclin B	0.0032	0.0083	0.0083
Trichomonas vaginalis	CMGC family protein kinase	0.0326	0.1892	0.1892
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0083	0.0083
Mycobacterium ulcerans	serine/threonine-protein kinase B PknB	0.0018	0	0.5
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0326	0.1892	0.1892
Brugia malayi	follicle stimulating hormone receptor	0.0491	0.2906	0.2906
Echinococcus granulosus	neuropeptide receptor A26	0.0954	0.575	0.575
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0018	0	0.5
Trypanosoma cruzi	cdc2-related kinase 3	0.0326	0.1892	0.1892
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0507	0.0507
Schistosoma mansoni	serine/threonine protein kinase	0.1646	1	1
Mycobacterium ulcerans	serine/threonine-protein kinase transcriptional regulatory protein PknK_2	0.0018	0	0.5
Trichomonas vaginalis	cyclin B, putative	0.0032	0.0083	0.0083
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0018	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0326	0.1892	0.1892
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.1646	1	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0326	0.1892	0.1892
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.1646	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0507	0.0507
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0507	0.0507
Entamoeba histolytica	cell division protein kinase 2, putative	0.0326	0.1892	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0214	0.1205	0.1205
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0196	0.0196
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0507	0.0507
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.0507	0.0507
Plasmodium vivax	protein kinase Crk2	0.0326	0.1892	1
Leishmania major	carbonic anhydrase-like protein	0.0214	0.1205	0.1205
Trypanosoma cruzi	cdc2-related kinase 3	0.0326	0.1892	0.1892
Trypanosoma brucei	cdc2-related kinase 3	0.0326	0.1892	0.1892
Mycobacterium leprae	Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B)	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0099	0.0099
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.0507	0.0507
Plasmodium falciparum	carbonic anhydrase	0.0101	0.0507	0.2677
Schistosoma mansoni	serine/threonine protein kinase	0.0326	0.1892	0.1892
Mycobacterium tuberculosis	Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B)	0.0018	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0326	0.1892	0.1892
Trichomonas vaginalis	cyclin B, putative	0.0032	0.0083	0.0083
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0507	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1781	0.1781
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0507	0.0507
Trypanosoma cruzi	cyclin, putative	0.0032	0.0083	0.0083
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0018	0	0.5
Mycobacterium tuberculosis	Serine/threonine-protein kinase PknG (protein kinase G) (STPK G)	0.0018	0	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0507	0.0507
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0196	0.0196
Trichomonas vaginalis	cyclins, putative	0.0032	0.0083	0.0083
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0099	0.0099

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 30 nM	Inhibitory activity against human carbonic anhydrase II (CA2)	ChEMBL.	10649985
Ki (binding)	= 30 nM	Inhibitory activity against human carbonic anhydrase II (CA2)	ChEMBL.	10649985
Ki (binding)	= 46 nM	Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes	ChEMBL.	10649985
Ki (binding)	= 46 nM	Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes	ChEMBL.	10649985
Ki (binding)	= 720 nM	Inhibitory activity against human carbonic anhydrase I (CA1)	ChEMBL.	10649985
Ki (binding)	= 720 nM	Inhibitory activity against human carbonic anhydrase I (CA1)	ChEMBL.	10649985

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: CHEMBL328410
PubChem: 10673625

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 167747