Detailed information for compound 1384378

Basic information

Technical information
  • TDR Targets ID: 1384378
  • Name: 5-(3-morpholin-4-ylpropylamino)-2-[(4-phenylp henoxy)methyl]-1,3-oxazole-4-carbonitrile
  • MW: 418.488 | Formula: C24H26N4O3
  • H donors: 1 H acceptors: 2 LogP: 4.41 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1nc(oc1NCCCN1CCOCC1)COc1ccc(cc1)c1ccccc1
  • InChi: 1S/C24H26N4O3/c25-17-22-24(26-11-4-12-28-13-15-29-16-14-28)31-23(27-22)18-30-21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-16,18H2
  • InChiKey: VNFUBVNOOAIKTF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3-morpholinopropylamino)-2-[(4-phenylphenoxy)methyl]oxazole-4-carbonitrile
  • 5-(3-morpholinopropylamino)-2-[(4-phenylphenoxy)methyl]-4-oxazolecarbonitrile
  • SMR000045782
  • MLS000042120

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0288 0.0178
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0288 0.0408
Schistosoma mansoni serine/threonine protein kinase 0.0138 0.6442 0.6402
Loa Loa (eye worm) hypothetical protein 0.0022 0.0288 0.0408
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.1477 0.138
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0112 0.0133
Schistosoma mansoni plexin 0.0072 0.2908 0.2827
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0288 0.0178
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1477 0.5
Entamoeba histolytica hypothetical protein 0.0022 0.0288 0.1607
Brugia malayi hypothetical protein 0.0022 0.0288 0.0408
Echinococcus granulosus plexin a4 0.0085 0.3605 0.3605
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0112 0.0112
Echinococcus granulosus beta-adrenergic receptor kinase 0.0106 0.4727 0.4727
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0288 0.0288
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0237 0.0328
Loa Loa (eye worm) hypothetical protein 0.003 0.0689 0.1033
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0689 0.1033
Onchocerca volvulus 0.0072 0.2908 1
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus multilocularis hypothetical protein 0.003 0.0689 0.0584
Loa Loa (eye worm) hypothetical protein 0.0033 0.0832 0.1256
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0288 0.0408
Loa Loa (eye worm) hypothetical protein 0.003 0.0689 0.1033
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2305 0.3551
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1477 1
Brugia malayi regulator of G-protein signaling rgs-7 0.0022 0.0288 0.0408
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1477 0.138
Echinococcus multilocularis lamin dm0 0.0033 0.0832 0.0728
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0288 0.0288
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0112 0.0133
Loa Loa (eye worm) hypothetical protein 0.003 0.0689 0.1033
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0021 0.0237 0.0328
Loa Loa (eye worm) plexin A 0.0085 0.3605 0.5578
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0288 0.0288
Echinococcus granulosus intermediate filament protein 0.0033 0.0832 0.0832
Schistosoma mansoni hypothetical protein 0.003 0.0689 0.0584
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0288 0.0178
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0288 0.0178
Brugia malayi PXA domain containing protein 0.0022 0.0288 0.0408
Loa Loa (eye worm) hypothetical protein 0.0032 0.0801 0.1206
Brugia malayi PXA domain containing protein 0.0022 0.0288 0.0408
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.1477 0.138
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.1477 0.138
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.1477 1
Schistosoma mansoni hypothetical protein 0.0041 0.129 0.1191
Brugia malayi Sema domain containing protein 0.003 0.0689 0.1033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2305 0.3551
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2305 0.3551
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0022 0.0288 0.0288
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0832 0.1256
Echinococcus multilocularis Regulator of G protein signaling 20 0.0022 0.0288 0.0178
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1477 0.1477
Loa Loa (eye worm) sema domain-containing protein 0.003 0.0689 0.1033
Echinococcus granulosus Regulator of G protein signaling 20 0.0022 0.0288 0.0288
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0041 0.129 0.1969
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.4727 0.4668
Echinococcus granulosus semaphorin 1A 0.003 0.0689 0.0689
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1477 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0288 0.0178
Schistosoma mansoni lamin 0.0033 0.0832 0.0728
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.1477 0.5
Schistosoma mansoni lamin 0.0033 0.0832 0.0728
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0022 0.0288 0.0178
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1477 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0832 0.1256
Loa Loa (eye worm) RGS-3 protein 0.0022 0.0288 0.0408
Echinococcus granulosus expressed protein 0.0022 0.0288 0.0288
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0288 0.0288
Echinococcus multilocularis plexin a4 0.0085 0.3605 0.3533
Schistosoma mansoni plexin 0.0042 0.1315 0.1217
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0288 0.0408
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0138 0.6442 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0288 0.0408
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0116 0.5251 0.8144
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0288 0.0178
Onchocerca volvulus 0.0033 0.0832 0.0644
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0116 0.5251 0.8144
Brugia malayi hypothetical protein 0.0022 0.0288 0.0408
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0288 0.0178
Loa Loa (eye worm) hypothetical protein 0.0022 0.0288 0.0408
Onchocerca volvulus 0.0033 0.0832 0.0644
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.1477 0.1477
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0083 0.3536 0.3463
Echinococcus granulosus lamin 0.0033 0.0832 0.0832
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0288 0.0178
Echinococcus granulosus GPCR family 2 0.0019 0.0112 0.0112
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0116 0.5251 0.5198
Loa Loa (eye worm) hypothetical protein 0.0019 0.0112 0.0133
Loa Loa (eye worm) hypothetical protein 0.006 0.2305 0.3551
Brugia malayi regulator of G-protein signaling egl-10 0.0022 0.0288 0.0408
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.129 0.1969
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0138 0.6442 1
Echinococcus multilocularis expressed protein 0.0022 0.0288 0.0178
Schistosoma mansoni hypothetical protein 0.003 0.0689 0.0584
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0288 0.0178
Brugia malayi intermediate filament protein 0.0033 0.0832 0.1256
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0288 0.0178
Echinococcus multilocularis lamin 0.0033 0.0832 0.0728
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0022 0.0288 0.0178
Brugia malayi plexin A 0.0085 0.3605 0.5578
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0288 0.0178
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1477 0.138
Brugia malayi hypothetical protein 0.003 0.0689 0.1033
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.1477 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0689 0.1033
Loa Loa (eye worm) hypothetical protein 0.0042 0.1315 0.2009
Schistosoma mansoni intermediate filament proteins 0.0033 0.0832 0.0728
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0288 0.0178
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0288 0.0178
Loa Loa (eye worm) hypothetical protein 0.0022 0.0288 0.0408
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0106 0.4727 0.7327
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0022 0.0288 0.0408
Entamoeba histolytica hypothetical protein 0.0022 0.0288 0.1607
Schistosoma mansoni semaphorin 5-related 0.003 0.0689 0.0584
Echinococcus multilocularis semaphorin 5B 0.003 0.0689 0.0584
Loa Loa (eye worm) PXA domain-containing protein 0.0022 0.0288 0.0408
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.1477 0.226
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0288 0.0178
Loa Loa (eye worm) sema domain-containing protein 0.003 0.0689 0.1033
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.4727 0.4668
Echinococcus granulosus G protein coupled receptor kinase 1 0.0083 0.3536 0.3536
Brugia malayi hypothetical protein 0.003 0.0689 0.1033
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1477 0.1477
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1477 1
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0288 0.0178
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0116 0.5251 0.5251
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0112 0.0112
Brugia malayi Sema domain containing protein 0.003 0.0689 0.1033
Loa Loa (eye worm) hypothetical protein 0.003 0.0689 0.1033
Echinococcus multilocularis musashi 0.0033 0.0832 0.0728
Loa Loa (eye worm) hypothetical protein 0.0022 0.0288 0.0408
Loa Loa (eye worm) hypothetical protein 0.0045 0.1477 0.226
Echinococcus multilocularis regulator of G protein signaling 0.0022 0.0288 0.0178
Echinococcus granulosus lamin dm0 0.0033 0.0832 0.0832
Echinococcus granulosus semaphorin 5B 0.003 0.0689 0.0689
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0116 0.5251 0.8144
Schistosoma mansoni z-protein (S1r protein) 0.0022 0.0288 0.0178
Brugia malayi Plexin repeat family protein 0.0072 0.2908 0.4491
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0288 0.0288
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1477 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.1315 0.1217
Brugia malayi A-kinase anchor protein 10, precursor 0.0022 0.0288 0.0408
Echinococcus multilocularis beta adrenergic receptor kinase 0.0106 0.4727 0.4668
Loa Loa (eye worm) hypothetical protein 0.0072 0.2908 0.4491
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0832 0.1256
Entamoeba histolytica hypothetical protein 0.0022 0.0288 0.1607
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0112 0.0133

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

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