Detailed information for compound 776801

Basic information

Technical information
  • TDR Targets ID: 776801
  • Name: methyl N-[[1-(4-bromophenyl)-2,5-dimethylpyrr ol-3-yl]methylideneamino]carbamate
  • MW: 350.21 | Formula: C15H16BrN3O2
  • H donors: 1 H acceptors: 1 LogP: 3.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)N/N=C/c1cc(n(c1C)c1ccc(cc1)Br)C
  • InChi: 1S/C15H16BrN3O2/c1-10-8-12(9-17-18-15(20)21-3)11(2)19(10)14-6-4-13(16)5-7-14/h4-9H,1-3H3,(H,18,20)/b17-9+
  • InChiKey: WIYLXLNUBWUENR-RQZCQDPDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl N-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]carbamate
  • N-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methyleneamino]carbamic acid methyl ester
  • N-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]carbamic acid methyl ester
  • methyl N-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]carbamate
  • N'-[1-[1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-meth-(E)-ylidene]-hydrazinecarboxylic acid methyl ester
  • SMR000420445
  • STOCK2S-36369
  • MLS000780262

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3226 0.3214
Schistosoma mansoni cpg binding protein 0.0029 0.1394 0.1462
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1812 0.1884
Loa Loa (eye worm) hypothetical protein 0.0019 0.0785 0.0768
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0028 0.0045
Schistosoma mansoni rab6-interacting 0.0019 0.0805 0.0844
Schistosoma mansoni cpg binding protein 0.0028 0.1301 0.1363
Plasmodium vivax hypothetical protein, conserved 0.0043 0.2235 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2235 1
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0157 0.014
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0164 0.0146
Trypanosoma cruzi metacaspase, putative 0.0043 0.2235 1
Schistosoma mansoni hypothetical protein 0.0041 0.2058 0.2157
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3134 0.3286
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0043 0.2235 0.2221
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4192 0.4182
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.1812 0.1899
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0164 0.0172
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.1812 0.1899
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3134 0.5
Brugia malayi TAR-binding protein 0.0076 0.4192 0.4182
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0805 0.0827
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4192 0.4395
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3134 0.3286
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0019
Loa Loa (eye worm) hypothetical protein 0.0174 1 1
Brugia malayi hypothetical protein 0.0019 0.0805 0.0788
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2235 1
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0018 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4192 0.4182
Onchocerca volvulus 0.0019 0.0805 0.0788
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0154
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.3134 0.3273
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.3134 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4192 0.4385
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2235 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2235 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.1301 0.1285
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0154
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0805 0.0827
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0785 0.0805
Echinococcus granulosus geminin 0.0167 0.9539 1
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0805 0.0827
Schistosoma mansoni lipoxygenase 0.0019 0.0805 0.0844
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0172
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Onchocerca volvulus 0.0028 0.1301 0.1285
Schistosoma mansoni cpg binding protein 0.0029 0.1394 0.1462
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0064 0.0048
Trichomonas vaginalis helicase, putative 0.0006 0.0028 0.0045
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0164 0.0172
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0064 0.0048
Brugia malayi hypothetical protein 0.0041 0.2058 0.2044
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0164 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4192 0.4395
Schistosoma mansoni polycystin 1-related 0.0019 0.0805 0.0844
Onchocerca volvulus 0.0009 0.0164 0.0146
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.2875 0.3001
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0045
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0164 0.0154
Onchocerca volvulus Cell death protein 3 homolog 0.0084 0.4638 0.4629
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0115 0.6477 0.6784
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4192 0.4182
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0045
Loa Loa (eye worm) hypothetical protein 0.0019 0.0805 0.0788
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0805 0.0788
Schistosoma mansoni lipoxygenase 0.0054 0.2875 0.3014
Plasmodium falciparum metacaspase 1 0.0043 0.2235 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4192 0.4395
Trypanosoma brucei metacaspase MCA3 0.0043 0.2235 1
Echinococcus multilocularis RUN 0.0019 0.0805 0.0827
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3134 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4192 0.4395
Loa Loa (eye worm) hypothetical protein 0.006 0.3226 0.3214
Trypanosoma brucei metacaspase MCA2 0.0043 0.2235 1
Schistosoma mansoni hypothetical protein 0.0167 0.9539 1
Trypanosoma brucei Metacaspase-4 0.0043 0.2235 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0154
Brugia malayi RNA binding protein 0.0076 0.4192 0.4182
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2235 1
Schistosoma mansoni rab6-interacting 0.0019 0.0805 0.0844
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1812 0.8091
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0164 0.0146
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.2235 0.6972
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3226 0.3214
Schistosoma mansoni hypothetical protein 0.0167 0.9539 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.3134 0.3273
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0045
Brugia malayi Cell death protein 3 precursor 0.0084 0.4638 0.4629
Loa Loa (eye worm) hypothetical protein 0.0036 0.1812 0.1797
Schistosoma mansoni caspase-7 (C14 family) 0.0115 0.6477 0.679
Echinococcus multilocularis cpg binding protein 0.0029 0.1394 0.1446
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0823
Echinococcus multilocularis GPCR, family 2 0.0019 0.0785 0.0805
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1812 0.1884
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0045
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0154
Echinococcus granulosus caspase 8 0.0043 0.2235 0.2329
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0045
Echinococcus multilocularis geminin 0.0167 0.9539 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0174 1 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0115 0.6477 0.6784
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0043 0.2235 0.2343
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2096 0.2082
Echinococcus multilocularis caspase 0.0115 0.6477 0.6784
Trypanosoma brucei metacaspase 0.0043 0.2235 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0064 0.0048
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.2235 0.6972
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0164 0.0172
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0785 0.0805
Loa Loa (eye worm) hypothetical protein 0.0041 0.2096 0.2082
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4192 0.4385
Schistosoma mansoni hypothetical protein 0.0041 0.2096 0.2197
Loa Loa (eye worm) hypothetical protein 0.0084 0.4638 0.4629
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1812 0.8091
Echinococcus multilocularis caspase 3 0.0072 0.3897 0.4074
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0785 0.0805
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0045
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0154
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0154
Trypanosoma cruzi metacaspase, putative 0.0043 0.2235 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0164 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Brugia malayi DIX domain containing protein 0.0009 0.0164 0.0146
Echinococcus granulosus RUN 0.0019 0.0805 0.0827
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1812 0.8091
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0164 0.0154
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0785 0.0768
Trypanosoma cruzi metacaspase, putative 0.0043 0.2235 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4192 0.4395
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0028 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.2235 1
Trypanosoma brucei metacaspase 5, putative 0.0043 0.2235 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0805 0.0827
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.3146 0.3298
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.1812 0.8091
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1301 0.1285
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0785 0.0768
Echinococcus granulosus GPCR family 2 0.0019 0.0785 0.0805
Echinococcus granulosus cpg binding protein 0.0029 0.1394 0.1446
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.1812 1
Schistosoma mansoni caspase-3 (C14 family) 0.0115 0.6477 0.679
Brugia malayi Doublecortin family protein 0.0019 0.0805 0.0788
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0064 0.0048
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0154
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1812 0.1884
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.3134 0.5
Echinococcus granulosus apoptotic protease activating factor 1 0.0041 0.2058 0.2143
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0164 0.0146
Schistosoma mansoni dep domain containing protein 0.0009 0.0164 0.0172
Loa Loa (eye worm) hypothetical protein 0.0019 0.0805 0.0788
Echinococcus granulosus caspase 2 0.0084 0.4638 0.4853
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Plasmodium falciparum metacaspase-like protein 0.0043 0.2235 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1812 0.1884
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0064 0.0067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3134 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.2235 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.1812 0.1797
Brugia malayi hypothetical protein 0.0019 0.0805 0.0788
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Leishmania major metacaspase, putative 0.0043 0.2235 0.32
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0019
Echinococcus granulosus caspase 3 0.0072 0.3897 0.4074
Onchocerca volvulus 0.0019 0.0805 0.0788
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0823
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.2773 0.8783
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0164 0.0154
Echinococcus granulosus caspase 0.0115 0.6477 0.6784
Echinococcus multilocularis apoptotic protease activating factor 1 0.0041 0.2058 0.2143
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Loa Loa (eye worm) hypothetical protein 0.0041 0.2058 0.2044
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0045
Echinococcus multilocularis caspase 2 0.0084 0.4638 0.4853
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0805 0.0827
Onchocerca volvulus 0.0041 0.2058 0.2044
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0164 0.0146
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.1812 0.1884
Trypanosoma cruzi metacaspase, putative 0.0043 0.2235 1
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0823
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.3134 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.2235 0.6972
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Schistosoma mansoni hypothetical protein 0.0019 0.0785 0.0823
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.1812 0.5
Plasmodium vivax metacaspase 1, putative 0.0043 0.2235 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0019
Schistosoma mansoni hypothetical protein 0.0019 0.0805 0.0844
Schistosoma mansoni loxhd1 0.0019 0.0805 0.0844
Echinococcus multilocularis caspase 8 0.0043 0.2235 0.2329
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3226 0.3214
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0172
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0785 0.0768
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.2235 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4192 0.4182
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0018 0.0019
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0154
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1812 0.8091
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Schistosoma mansoni caspase-7 (C14 family) 0.0084 0.4638 0.4862
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0785 0.0805
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.1812 0.1884
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.2875 0.3001
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.2235 1
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0805 0.0827
Loa Loa (eye worm) hypothetical protein 0.0043 0.2235 0.2221

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 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
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Bibliographic References

No literature references available for this target.

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