TDR Targets

Basic information

Technical information

TDR Targets ID: 445612
Name: N-(1-adamantylmethyl)-2-chloro-5-piperazin-1- ylbenzamide
MW: 387.946 | Formula: C22H30ClN3O
H donors: 2 H acceptors: 1 LogP: 4.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(ccc1Cl)N1CCNCC1)NCC12CC3CC(C2)CC(C1)C3
InChi: 1S/C22H30ClN3O/c23-20-2-1-18(26-5-3-24-4-6-26)10-19(20)21(27)25-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17,24H,3-9,11-14H2,(H,25,27)
InChiKey: SZEATWKNDKWXLO-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

N-(1-adamantylmethyl)-2-chloro-5-piperazin-1-yl-benzamide
N-(1-adamantylmethyl)-2-chloro-5-(1-piperazinyl)benzamide
N-(1-adamantylmethyl)-2-chloro-5-piperazino-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	purinergic receptor P2X, ligand-gated ion channel, 7	Starlite/ChEMBL	References
Rattus norvegicus	P2X purinoceptor 7	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Guanine phosphoribosyltransferase	0.0185	0.3691	1
Trypanosoma cruzi	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.008	0.1178	0.319
Mycobacterium leprae	Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho	0.0142	0.2649	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0016	0.0016
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0072	0.0973	0.2605
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0032	0.0016	0.0043
Mycobacterium ulcerans	adenine phosphoribosyltransferase	0.0043	0.0281	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0016	0.0016
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0088	0.0198
Echinococcus multilocularis	adenine phosphoribosyltransferase	0.0043	0.0281	0.0762
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0072	0.0973	0.3637
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0016	0.0043
Mycobacterium ulcerans	hypoxanthine-guanine phosphoribosyltransferase Hpt	0.0185	0.3691	1
Schistosoma mansoni	lozenge	0.0056	0.0589	0.1595
Schistosoma mansoni	P2X receptor subunit	0.0164	0.3189	0.8639
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0032	0.0016	0.0043
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0032	0.0016	0.0043
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.008	0.1178	0.1178
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.022	0.4545	0.4545
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0032	0.0016	0.0043
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Trypanosoma brucei	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Echinococcus multilocularis	ETHE1 protein	0.0032	0.0016	0.0043
Plasmodium vivax	orotate phosphoribosyltransferase, putative	0.0043	0.0281	0.0762
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0973	0.182
Mycobacterium tuberculosis	Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase)	0.0043	0.0281	0.1009
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0088	0.0088
Trichomonas vaginalis	set domain proteins, putative	0.0251	0.5278	1
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0072	0.0973	0.3637
Brugia malayi	orotate phosphoribosyltransferase family protein	0.0043	0.0281	0.0281
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0072	0.0973	0.3637
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0032	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0016	0.0016
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0032	0.0016	0.0016
Echinococcus granulosus	voltage dependent calcium channel	0.008	0.1178	0.319
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0088	0.0138
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0088	0.0198
Schistosoma mansoni	zinc phosphodiesterase	0.0032	0.0016	0.0043
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	1
Leishmania major	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative	0.0043	0.0281	0.0723
Mycobacterium tuberculosis	Probable pyrimidine operon regulatory protein PyrR	0.0043	0.0281	0.1009
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0072	0.0973	0.2605
Leishmania major	hypoxanthine-guanine phosphoribosyltransferase	0.0185	0.3691	1
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.008	0.1178	0.319
Loa Loa (eye worm)	adenine phosphoribosyltransferase	0.0043	0.0281	0.0281
Echinococcus granulosus	adenine phosphoribosyltransferase	0.0043	0.0281	0.0762
Echinococcus multilocularis	Protein lozenge	0.0056	0.0589	0.1595
Schistosoma mansoni	P2X receptor subunit	0.0164	0.3189	0.8639
Echinococcus multilocularis	p2X purinoceptor 4	0.0164	0.3189	0.8639
Schistosoma mansoni	hypothetical protein	0.0032	0.0016	0.0043
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0072	0.0973	1
Chlamydia trachomatis	transglycolase/transpeptidase	0.0072	0.0973	1
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0072	0.0973	0.3637
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0185	0.3691	1
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0072	0.0973	0.3637
Mycobacterium ulcerans	amidophosphoribosyltransferase	0.0043	0.0281	0.0723
Echinococcus multilocularis	p2X purinoceptor 4	0.0164	0.3189	0.8639
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0043	0.0281	0.1009
Entamoeba histolytica	hypothetical protein	0.0035	0.0088	0.7467
Schistosoma mansoni	hypothetical protein	0.0036	0.0113	0.0306
Leishmania major	xanthine phosphoribosyltransferase	0.0185	0.3691	1
Treponema pallidum	phosphoribosylpyrophosphate synthetase	0.0043	0.0281	0.2774
Schistosoma mansoni	P2X receptor subunit	0.0164	0.3189	0.8639
Mycobacterium tuberculosis	Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase)	0.0043	0.0281	0.1009
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0113	0.0306
Echinococcus granulosus	p2X purinoceptor 4	0.0164	0.3189	0.8639
Onchocerca volvulus		0.0447	1	1
Onchocerca volvulus	Putative hydrolase PNKD	0.0032	0.0016	0.0016
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0088	0.0239
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0088	0.0239
Schistosoma mansoni	Adenine phosphoribosyltransferase	0.0043	0.0281	0.0762
Schistosoma mansoni	P2X receptor subunit	0.0164	0.3189	0.8639
Echinococcus granulosus	ETHE1 protein	0.0032	0.0016	0.0043
Mycobacterium ulcerans	orotate phosphoribosyltransferase	0.0043	0.0281	0.0723
Schistosoma mansoni	hypothetical protein	0.0032	0.0016	0.0043
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0032	0.0016	0.0016
Mycobacterium tuberculosis	Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase)	0.0043	0.0281	0.1009
Loa Loa (eye worm)	hypothetical protein	0.008	0.1178	0.1178
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0185	0.3691	1
Brugia malayi	Phosphoribosyl transferase domain containing protein	0.0185	0.3691	0.3691
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0032	0.0016	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0447	1	1
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0088	0.0198
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.008	0.1178	0.319
Echinococcus multilocularis	p2X purinoceptor 4	0.0164	0.3189	0.8639
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0032	0.0016	0.0043
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0088	0.0198
Echinococcus granulosus	transcription factor btf3	0.0035	0.0088	0.0239
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0072	0.0973	1
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase	0.0185	0.3691	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0032	0.0016	0.0016
Trichomonas vaginalis	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	0.6985
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0032	0.0016	0.0043
Giardia lamblia	Adenine phosphoribosyltransferase	0.0043	0.0281	0.0723
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0032	0.0016	0.0043
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0072	0.0973	0.2605
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0049	0.0418	0.1095
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0088	0.0138
Schistosoma mansoni	orotidine 5'-phosphate decarboxylase	0.0043	0.0281	0.0762
Plasmodium falciparum	orotate phosphoribosyltransferase	0.0043	0.0281	0.0723
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Toxoplasma gondii	orotate phosphoribosyltransferase	0.0043	0.0281	0.0762
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0072	0.0973	0.3637
Wolbachia endosymbiont of Brugia malayi	amidophosphoribosyltransferase	0.0043	0.0281	0.2774
Brugia malayi	hypothetical protein	0.0036	0.0113	0.0113
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0113	0.0306
Brugia malayi	beta-NAC-like protein	0.0035	0.0088	0.0088
Trypanosoma brucei	Adenine phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0072	0.0973	1
Schistosoma mansoni	transcription factor btf3	0.0035	0.0088	0.0239
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0043	0.0281	0.0762
Onchocerca volvulus		0.0251	0.5278	0.5278
Mycobacterium ulcerans	bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase	0.0043	0.0281	0.0723
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.008	0.1178	0.319
Brugia malayi	Pre-SET motif family protein	0.022	0.4545	0.4545
Wolbachia endosymbiont of Brugia malayi	orotate phosphoribosyltransferase	0.0043	0.0281	0.2774
Loa Loa (eye worm)	calcium channel	0.008	0.1178	0.1178
Loa Loa (eye worm)	orotate phosphoribosyltransferase	0.0043	0.0281	0.0281
Onchocerca volvulus	Adenine phosphoribosyltransferase homolog	0.0043	0.0281	0.0281
Brugia malayi	hypothetical protein	0.0032	0.0016	0.0016
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0032	0.0016	0.0043
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0088	0.0138
Treponema pallidum	adenine phosphoribosyltransferase	0.0043	0.0281	0.2774
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.008	0.1178	0.319
Loa Loa (eye worm)	hypothetical protein	0.0447	1	1
Schistosoma mansoni	zinc phosphodiesterase	0.0032	0.0016	0.0043
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0113	0.0306
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0185	0.3691	1
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0072	0.0973	0.2605
Loa Loa (eye worm)	runx1	0.0056	0.0589	0.0589
Onchocerca volvulus		0.0032	0.0016	0.0016
Schistosoma mansoni	voltage-gated cation channel	0.008	0.1178	0.319
Trichomonas vaginalis	ribose-phosphate pyrophosphokinase, putative	0.0043	0.0281	0.0505
Mycobacterium tuberculosis	Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor	0.0142	0.2649	1
Leishmania major	adenine phosphoribosyltransferase	0.0043	0.0281	0.0723
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase	0.0185	0.3691	1
Plasmodium falciparum	hypoxanthine-guanine phosphoribosyltransferase	0.0185	0.3691	1
Echinococcus multilocularis	voltage dependent calcium channel	0.008	0.1178	0.319
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0043	0.0281	0.0762
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0032	0.0016	0.0043
Echinococcus granulosus	p2X purinoceptor 4	0.0164	0.3189	0.8639
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0049	0.0418	0.1095
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0185	0.3691	1
Schistosoma mansoni	Adenine phosphoribosyltransferase	0.0043	0.0281	0.0762
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.008	0.1178	0.319
Schistosoma mansoni	uracil phosphoribosyltransferase	0.0043	0.0281	0.0762
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Echinococcus multilocularis	voltage dependent calcium channel	0.008	0.1178	0.319
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0088	0.0239
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0032	0.0016	0.0016
Echinococcus granulosus	uridine 5' monophosphate synthase	0.0043	0.0281	0.0762
Echinococcus granulosus	p2X purinoceptor 4	0.0164	0.3189	0.8639
Echinococcus multilocularis	zinc phosphodiesterase	0.0032	0.0016	0.0043
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0281	0.0723
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	1
Brugia malayi	Adenine phosphoribosyltransferase	0.0043	0.0281	0.0281
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0088	0.0198
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0281	0.1009
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0185	0.3691	1
Plasmodium vivax	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	1
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0072	0.0973	1
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0032	0.0016	0.0016
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Brugia malayi	ethe1-prov protein	0.0032	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0016	0.0016
Onchocerca volvulus		0.0185	0.3691	0.3691
Chlamydia trachomatis	transglycolase/transpeptidase	0.0072	0.0973	1
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.008	0.1178	0.319
Entamoeba histolytica	transcription factor BTF3, putative	0.0035	0.0088	0.7467
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.008	0.1178	0.319
Echinococcus multilocularis	uridine 5' monophosphate synthase	0.0043	0.0281	0.0762
Echinococcus granulosus	zinc phosphodiesterase	0.0032	0.0016	0.0043
Entamoeba histolytica	hypothetical protein	0.0036	0.0113	1
Trypanosoma brucei	Adenine phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Toxoplasma gondii	hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT	0.0185	0.3691	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0032	0.0016	0.0016
Trypanosoma cruzi	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Plasmodium vivax	unspecified product	0.0032	0.0016	0.0043
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0034	0.0061	0.0166
Treponema pallidum	hypothetical protein	0.0043	0.0281	0.2774
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0072	0.0973	0.2605
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0281	0.1009
Trichomonas vaginalis	Ribose-phosphate pyrophosphokinase, putative	0.0043	0.0281	0.0505
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.0043	0.0281	0.0723
Mycobacterium leprae	AMIDOPHOSPHORIBOSYLTRANSFERASE PURF (GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE) (ATASE) (GPATASE)	0.0043	0.0281	0.1009
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.008	0.1178	0.319
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0072	0.0973	0.3637
Echinococcus multilocularis	sodium channel protein	0.0034	0.0061	0.0166
Mycobacterium leprae	PROBABLE OROTATE PHOSPHORIBOSYLTRANSFERASE PYRE (OPRT) (OPRTASE)	0.0043	0.0281	0.1009
Onchocerca volvulus		0.0032	0.0016	0.0016
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0185	0.3691	1
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0185	0.3691	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= -5.9	Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formation	ChEMBL.	17963373
Kd (functional)	= 7.5	Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formation	ChEMBL.	17963373
Log IC50 (functional)	= 5.9	Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formation	ChEMBL.	17963373
pA2 (functional)	= 7.5	Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formation	ChEMBL.	17963373

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: CHEMBL393717
PubChem: 9908306

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 445612