TDR Targets

Basic information

Technical information

TDR Targets ID: 831690
Name: N-(3-diethylaminopropyl)-3-[4-ethyl-2-(2-meth oxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrim idin-6-yl]propanamide
MW: 467.604 | Formula: C26H37N5O3
H donors: 1 H acceptors: 3 LogP: 3.47 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCCNC(=O)CCc1c(C)n(CC)c2n(c1=O)nc(c2)c1ccccc1OC)CC
InChi: 1S/C26H37N5O3/c1-6-29(7-2)17-11-16-27-24(32)15-14-20-19(4)30(8-3)25-18-22(28-31(25)26(20)33)21-12-9-10-13-23(21)34-5/h9-10,12-13,18H,6-8,11,14-17H2,1-5H3,(H,27,32)
InChiKey: LYGORHOEHCFAFK-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(3-diethylaminopropyl)-3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
N-(3-diethylaminopropyl)-3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-6-pyrazolo[1,5-a]pyrimidinyl]propanamide
N-(3-diethylaminopropyl)-3-[4-ethyl-7-keto-2-(2-methoxyphenyl)-5-methyl-pyrazolo[5,1-b]pyrimidin-6-yl]propionamide
C561-2209
NCGC00110205-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Saccharomyces cerevisiae	Ste24p	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references
Sus scrofa	Trypsin	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	CAAX prenyl protease 1, putative,metallo- peptidase, Clan M- Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	Get druggable targets OG5_127953	All targets in OG5_127953
Leishmania mexicana	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Trypanosoma cruzi	CAAX prenyl protease 1, putative	Get druggable targets OG5_127953	All targets in OG5_127953
Cryptosporidium hominis	CAAX prenyl protease	Get druggable targets OG5_127953	All targets in OG5_127953
Trypanosoma brucei	metallo- peptidase, Clan M- Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Neospora caninum	peptidase family M48 domain-containing protein, putative	Get druggable targets OG5_127953	All targets in OG5_127953
Babesia bovis	CAAX metallo endopeptidase, putative	Get druggable targets OG5_127953	All targets in OG5_127953
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Leishmania donovani	metallo- peptidase, Clan M- Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Theileria parva	CAAX prenyl protease 1, putative	Get druggable targets OG5_127953	All targets in OG5_127953
Schistosoma japonicum	ko:K06013 STE24 endopeptidase [EC3.4.24.84], putative	Get druggable targets OG5_127953	All targets in OG5_127953
Schistosoma mansoni	farnesylated-protein converting enzyme 1 (M48 family)	Get druggable targets OG5_127953	All targets in OG5_127953
Echinococcus multilocularis	caax prenyl protease 1	Get druggable targets OG5_127953	All targets in OG5_127953
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Toxoplasma gondii	CAAX metallo endopeptidase	Get druggable targets OG5_127953	All targets in OG5_127953
Candida albicans	likely metallopeptidase similar to S. cerevisiae STE24 (YJR117W) involved in the proteolytic maturation of a-factor	Get druggable targets OG5_127953	All targets in OG5_127953
Leishmania major	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Candida albicans	likely metallopeptidase similar to S. cerevisiae STE24 (YJR117W) involved in the proteolytic maturation of a-factor	Get druggable targets OG5_127953	All targets in OG5_127953
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Trypanosoma congolense	metallo- peptidase, Clan M- Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Trypanosoma cruzi	metallo- peptidase, Clan M- Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Entamoeba histolytica	CAAX prenyl protease, putative	Get druggable targets OG5_127953	All targets in OG5_127953
Leishmania braziliensis	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Brugia malayi	Peptidase family M48 containing protein	Get druggable targets OG5_127953	All targets in OG5_127953
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Brugia malayi	Trypsin family protein	Get druggable targets OG5_126639	All targets in OG5_126639
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	Get druggable targets OG5_127953	All targets in OG5_127953
Loa Loa (eye worm)	peptidase family M48 containing protein	Get druggable targets OG5_127953	All targets in OG5_127953
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_127953	All targets in OG5_127953
Leishmania infantum	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	Get druggable targets OG5_127953	All targets in OG5_127953
Echinococcus granulosus	caax prenyl protease 1	Get druggable targets OG5_127953	All targets in OG5_127953
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Drosophila melanogaster	CG32277 gene product from transcript CG32277-RA	Trypsin	231 aa	221 aa	33.5 %
Drosophila melanogaster	CG9997 gene product from transcript CG9997-RB	Trypsin	231 aa	194 aa	23.2 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Trypsin	231 aa	302 aa	24.8 %
Drosophila melanogaster	CG18180 gene product from transcript CG18180-RA	Trypsin	231 aa	233 aa	27.9 %
Drosophila melanogaster	Jonah 99Ci	Trypsin	231 aa	235 aa	31.9 %
Echinococcus multilocularis	Mastin	Trypsin	231 aa	306 aa	24.2 %
Drosophila melanogaster	CG9733 gene product from transcript CG9733-RB	Trypsin	231 aa	262 aa	31.3 %
Echinococcus granulosus	Mastin	Trypsin	231 aa	306 aa	23.9 %
Drosophila melanogaster	CG14990 gene product from transcript CG14990-RA	Trypsin	231 aa	238 aa	29.4 %
Echinococcus granulosus	enteropeptidase	Trypsin	231 aa	230 aa	28.3 %
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	Trypsin	231 aa	286 aa	25.2 %
Echinococcus granulosus	transmembrane protease serine 3	Trypsin	231 aa	234 aa	33.8 %
Drosophila melanogaster	CG6582 gene product from transcript CG6582-RA	Trypsin	231 aa	187 aa	23.5 %
Drosophila melanogaster	CG31220 gene product from transcript CG31220-RB	Trypsin	231 aa	263 aa	27.8 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin	231 aa	235 aa	25.5 %
Drosophila melanogaster	CG13744 gene product from transcript CG13744-RA	Trypsin	231 aa	249 aa	31.3 %
Drosophila melanogaster	CG3505 gene product from transcript CG3505-RA	Trypsin	231 aa	232 aa	30.6 %
Schistosoma japonicum	Enteropeptidase, putative	Trypsin	231 aa	262 aa	25.6 %
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	Trypsin	231 aa	286 aa	24.8 %
Drosophila melanogaster	CG18420 gene product from transcript CG18420-RA	Trypsin	231 aa	239 aa	28.4 %
Drosophila melanogaster	CG30323 gene product from transcript CG30323-RB	Trypsin	231 aa	210 aa	23.3 %
Drosophila melanogaster	CG10405 gene product from transcript CG10405-RB	Trypsin	231 aa	242 aa	31.8 %
Echinococcus granulosus	glycoprotein Antigen 5	Trypsin	231 aa	301 aa	23.9 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin	231 aa	235 aa	25.5 %
Trypanosoma cruzi	hypothetical protein, conserved	Trypsin	231 aa	188 aa	23.9 %
Drosophila melanogaster	CG34436 gene product from transcript CG34436-RA	Trypsin	231 aa	214 aa	22.0 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin	231 aa	237 aa	24.1 %
Drosophila melanogaster	CG5909 gene product from transcript CG5909-RA	Trypsin	231 aa	256 aa	28.9 %
Drosophila melanogaster	CG30287 gene product from transcript CG30287-RA	Trypsin	231 aa	249 aa	27.7 %
Schistosoma mansoni	aminopeptidase PILS (M01 family)	Trypsin	231 aa	300 aa	22.3 %
Drosophila melanogaster	CG4914 gene product from transcript CG4914-RA	Trypsin	231 aa	245 aa	38.8 %
Drosophila melanogaster	CG30083 gene product from transcript CG30083-RB	Trypsin	231 aa	209 aa	29.7 %
Schistosoma japonicum	IPR001254,Peptidase S1 and S6, chymotrypsin/Hap;IPR009003,Peptidase, trypsin-like serine and cysteine,domain-containing	Trypsin	231 aa	225 aa	23.1 %
Drosophila melanogaster	CG30288 gene product from transcript CG30288-RC	Trypsin	231 aa	245 aa	29.0 %
Schistosoma japonicum	Cercarial protease precursor (EC 3.4.21.-) (Cercarial elastase), putative	Trypsin	231 aa	204 aa	25.0 %
Drosophila melanogaster	CG17239 gene product from transcript CG17239-RB	Trypsin	231 aa	227 aa	33.5 %
Drosophila melanogaster	CG9673 gene product from transcript CG9673-RB	Trypsin	231 aa	239 aa	27.6 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin	231 aa	201 aa	22.9 %
Echinococcus multilocularis	transmembrane protease serine 3	Trypsin	231 aa	233 aa	33.0 %
Schistosoma japonicum	ko:K09637 transmembrane protease, serine 6, putative	Trypsin	231 aa	242 aa	28.9 %
Drosophila melanogaster	CG4815 gene product from transcript CG4815-RA	Trypsin	231 aa	212 aa	27.4 %
Drosophila melanogaster	Jonah 65Aii	Trypsin	231 aa	235 aa	35.3 %
Drosophila melanogaster	CG31326 gene product from transcript CG31326-RA	Trypsin	231 aa	249 aa	24.1 %
Drosophila melanogaster	Jonah 65Aiii	Trypsin	231 aa	241 aa	34.0 %
Onchocerca volvulus		Trypsin	231 aa	251 aa	22.7 %
Drosophila melanogaster	CG3916 gene product from transcript CG3916-RA	Trypsin	231 aa	245 aa	31.4 %
Schistosoma japonicum	Transmembrane protease, serine 9, putative	Trypsin	231 aa	246 aa	21.1 %
Drosophila melanogaster	Jonah 66Ci	Trypsin	231 aa	234 aa	32.9 %
Schistosoma japonicum	ko:K01346 pancreatic elastase II [EC3.4.21.71], putative	Trypsin	231 aa	303 aa	24.1 %
Echinococcus multilocularis	enteropeptidase	Trypsin	231 aa	230 aa	27.8 %
Neospora caninum	ELMO/CED-12 family domain-containing protein, putative	Trypsin	231 aa	193 aa	22.8 %
Drosophila melanogaster	Spatzle-Processing Enzyme	Trypsin	231 aa	271 aa	29.1 %
Echinococcus multilocularis	glycoprotein Antigen 5	Trypsin	231 aa	301 aa	22.3 %
Drosophila melanogaster	CG33458 gene product from transcript CG33458-RA	Trypsin	231 aa	254 aa	28.4 %
Drosophila melanogaster	CG11313 gene product from transcript CG11313-RC	Trypsin	231 aa	255 aa	31.8 %
Onchocerca volvulus		Trypsin	231 aa	212 aa	21.2 %
Drosophila melanogaster	CG31267 gene product from transcript CG31267-RA	Trypsin	231 aa	233 aa	32.2 %
Drosophila melanogaster	CG33465 gene product from transcript CG33465-RC	Trypsin	231 aa	225 aa	21.8 %
Loa Loa (eye worm)	hypothetical protein	Trypsin	231 aa	238 aa	21.4 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Trypsin	231 aa	247 aa	35.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0036	0.1209	0.1209
Loa Loa (eye worm)	serpin protein 6	0.0036	0.1209	0.1209
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0789	0.195
Mycobacterium leprae	PROBABLE PROTEASE TRANSMEMBRANE PROTEIN HEAT SHOCK PROTEIN HTPX	0.0014	0.0147	0.5
Mycobacterium ulcerans	peptidase M48 like-protein	0.0014	0.0147	0.5
Trypanosoma brucei	metallo- peptidase, Clan M- Family M48	0.0082	0.3436	0.5
Loa Loa (eye worm)	serpin	0.0036	0.1209	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Echinococcus granulosus	Estrogen regulated protein EP45	0.0036	0.1209	0.3517
Brugia malayi	serpin	0.0036	0.1209	0.1209
Mycobacterium tuberculosis	Conserved protein	0.0014	0.0147	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	1	1
Echinococcus granulosus	plasminogen activator inhibitor 2	0.0036	0.1209	0.3517
Echinococcus granulosus	Estrogen regulated protein EP45	0.0036	0.1209	0.3517
Trypanosoma cruzi	CAAX prenyl protease 1, putative	0.0082	0.3436	0.5
Onchocerca volvulus		0.0036	0.1209	0.1209
Brugia malayi	hypothetical protein	0.0036	0.1209	0.1209
Brugia malayi	hypothetical protein	0.0036	0.1209	0.1209
Toxoplasma gondii	protease inhibitor PI1	0.0036	0.1209	0.3517
Giardia lamblia	Serpin 1	0.0036	0.1209	0.5
Brugia malayi	Serpin protein 6	0.0036	0.1209	0.1209
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0114	0.4973	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Schistosoma mansoni	serpin	0.0036	0.1209	0.243
Brugia malayi	Peptidase family M48 containing protein	0.0082	0.3436	0.3436
Onchocerca volvulus		0.0036	0.1209	0.1209
Toxoplasma gondii	serpin (serine proteinase inhibitor) superfamily protein	0.0036	0.1209	0.3517
Loa Loa (eye worm)	serpin	0.0036	0.1209	0.1209
Onchocerca volvulus		0.0106	0.4615	0.4615
Brugia malayi	serpin	0.0036	0.1209	0.1209
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0082	0.3436	1
Onchocerca volvulus		0.0036	0.1209	0.1209
Mycobacterium tuberculosis	Probable protease transmembrane protein heat shock protein HtpX	0.0014	0.0147	0.5
Brugia malayi	serpin (BmSERPIN)	0.0036	0.1209	0.1209
Brugia malayi	BmSERPIN	0.0036	0.1209	0.1209
Loa Loa (eye worm)	peptidase family M48 containing protein	0.0082	0.3436	0.3436
Brugia malayi	serpin	0.0036	0.1209	0.1209
Schistosoma mansoni	farnesylated-protein converting enzyme 1 (M48 family)	0.0082	0.3436	0.691
Mycobacterium ulcerans	hypothetical protein	0.0014	0.0147	0.5
Loa Loa (eye worm)	serpin	0.0036	0.1209	0.1209
Brugia malayi	Trypsin family protein	0.0114	0.4973	0.4973
Loa Loa (eye worm)	hypothetical protein	0.0114	0.4973	0.4973
Trypanosoma cruzi	metallo- peptidase, Clan M- Family M48	0.0082	0.3436	0.5
Brugia malayi	serpin	0.0036	0.1209	0.1209
Onchocerca volvulus		0.0036	0.1209	0.1209
Entamoeba histolytica	CAAX prenyl protease, putative	0.0082	0.3436	1
Schistosoma mansoni	serine protease inhibitors serpins	0.0036	0.1209	0.243
Mycobacterium ulcerans	hypothetical protein	0.0014	0.0147	0.5
Mycobacterium ulcerans	heat shock protein HtpX	0.0014	0.0147	0.5
Brugia malayi	serpin	0.0036	0.1209	0.1209
Toxoplasma gondii	CAAX metallo endopeptidase	0.0082	0.3436	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0789	0.195
Echinococcus granulosus	caax prenyl protease 1	0.0082	0.3436	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0082	0.3436	1
Schistosoma mansoni	serine protease inhibitors serpins	0.0036	0.1209	0.243
Echinococcus multilocularis	serine protease inhibitor	0.0036	0.1209	0.3517
Schistosoma mansoni	serine protease inhibitors serpins	0.0036	0.1209	0.243
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Echinococcus multilocularis	Estrogen regulated protein EP45	0.0036	0.1209	0.3517
Onchocerca volvulus		0.0036	0.1209	0.1209
Echinococcus granulosus	serine protease inhibitor	0.0036	0.1209	0.3517
Loa Loa (eye worm)	serpin	0.0036	0.1209	0.1209
Echinococcus multilocularis	caax prenyl protease 1	0.0082	0.3436	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0114	0.4973	1
Schistosoma mansoni	serine protease inhibitors serpins	0.0036	0.1209	0.243
Loa Loa (eye worm)	hypothetical protein	0.0114	0.4973	0.4973
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Onchocerca volvulus		0.0114	0.4973	0.4973
Wolbachia endosymbiont of Brugia malayi	TPR repeat-containing Zn-dependent protease	0.0014	0.0147	0.5
Brugia malayi	BmSERPIN, truncated	0.0036	0.1209	0.1209
Echinococcus granulosus	serine protease inhibitor	0.0036	0.1209	0.3517
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus granulosus	serine protease inhibitor	0.0036	0.1209	0.3517
Mycobacterium leprae	CONSERVED HYPOTHETICAL TRANSMEMBRANE PROTEIN	0.0014	0.0147	0.5
Brugia malayi	serpin precursor	0.0036	0.1209	0.1209
Schistosoma mansoni	serpin	0.0036	0.1209	0.243
Schistosoma mansoni	serine protease inhibitors serpins	0.0036	0.1209	0.243
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Brugia malayi	serpin (BmSERPIN)	0.0036	0.1209	0.1209
Echinococcus multilocularis	Estrogen regulated protein EP45	0.0036	0.1209	0.3517
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1209	0.1209
Brugia malayi	serpin	0.0036	0.1209	0.1209
Echinococcus multilocularis	serine protease inhibitor	0.0036	0.1209	0.3517
Leishmania major	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	0.0082	0.3436	0.5
Schistosoma mansoni	serine protease inhibitors serpins	0.0036	0.1209	0.243

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 6.238 uM	PUBCHEM_BIOASSAY: Ste24 Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-03_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]	ChEMBL.	No reference
AC50 (binding)	= 13.09 uM	PUBCHEM_BIOASSAY: Trypsin Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1710103
Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 831690