Detailed information for compound 1287206

Basic information

Technical information
  • TDR Targets ID: 1287206
  • Name: 4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)- N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl ]-4-oxobutanamide
  • MW: 488.982 | Formula: C25H30ClFN4O3
  • H donors: 1 H acceptors: 2 LogP: 2.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)N1CCOc2c1cc(Cl)cc2)NCCCN1CCN(CC1)c1ccccc1F
  • InChi: 1S/C25H30ClFN4O3/c26-19-6-7-23-22(18-19)31(16-17-34-23)25(33)9-8-24(32)28-10-3-11-29-12-14-30(15-13-29)21-5-2-1-4-20(21)27/h1-2,4-7,18H,3,8-17H2,(H,28,32)
  • InChiKey: GFTPYUYFDGNVQN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-oxo-butanamide
  • 4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-4-oxobutanamide
  • 4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-keto-butyramide

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
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.1311 0.103
Loa Loa (eye worm) fibroinase 0.002 0.1311 0.1311
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0053 0.6392 0.6275
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Echinococcus granulosus GPCR family 2 0.0019 0.1208 0.0924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Plasmodium vivax vivapain-2 0.002 0.1311 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.1311 0.0335
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.1009 0.0719
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.6392 0.6392
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0069 0.8792 0.8864
Leishmania major cysteine peptidase A (CPA) 0.002 0.1311 0.0343
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.6747 0.6641
Entamoeba histolytica cysteine proteinase, putative 0.002 0.1311 0.1641
Schistosoma mansoni hypothetical protein 0.0019 0.1208 0.0924
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0053 0.6392 0.613
Loa Loa (eye worm) ctsf protein 0.002 0.1311 0.1311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7506 0.7425
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.1213 0.1213
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.1311 0.1311
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1213 0.0232
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1009 0.1579
Leishmania major cathepsin L-like protease 0.002 0.1311 0.0343
Brugia malayi Papain family cysteine protease containing protein 0.002 0.1311 0.103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Loa Loa (eye worm) hypothetical protein 0.0041 0.4591 0.4591
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.3551 0.5555
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0313 0.049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.3726 0.5829
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.1213 0.0929
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6747 0.6641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Schistosoma mansoni hypothetical protein 0.0019 0.1208 0.0924
Loa Loa (eye worm) cysteine protease 0.002 0.1311 0.1311
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0053 0.6392 0.5987
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1213 0.0232
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.6392 0.6275
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1213 0.281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.1213 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1208 0.0221
Brugia malayi isocitrate dehydrogenase 0.0019 0.1213 0.0929
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1213 0.0227
Onchocerca volvulus 0.002 0.1311 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.1311 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.4735 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Brugia malayi Cathepsin L-like precursor 0.002 0.1311 0.103
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.1213 0.0227
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.1213 0.0232
Toxoplasma gondii target of rapamycin (TOR), putative 0.0039 0.4317 1
Entamoeba histolytica cysteine protease, putative 0.002 0.1311 0.1641
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.1213 0.0232
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Loa Loa (eye worm) hypothetical protein 0.0013 0.0313 0.0313
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0053 0.6392 0.613
Leishmania major cathepsin L-like protease 0.0075 0.979 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.1311 0.0343
Brugia malayi Cathepsin L-like precursor 0.002 0.1311 0.103
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6747 0.6381
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.6392 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1009 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.266 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.266 0.4161
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4591 0.4416
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.266 0.4161
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0042 0.4742 0.4251
Leishmania major cathepsin L-like protease 0.002 0.1311 0.0343
Echinococcus granulosus cathepsin l1 0.002 0.1311 0.103
Entamoeba histolytica cysteine proteinase, putative 0.002 0.1311 0.1641
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Brugia malayi Cathepsin L-like precursor 0.002 0.1311 0.103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6747 0.6641
Onchocerca volvulus Cathepsin L homolog 0.002 0.1311 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Onchocerca volvulus 0.002 0.1311 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1213 0.0232
Schistosoma mansoni hypothetical protein 0.0019 0.1208 0.0924
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Brugia malayi Isocitrate dehydrogenase 0.0019 0.1213 0.0929
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6747 0.6641
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6747 0.6641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1009 0.1579
Leishmania major cathepsin L-like protease 0.002 0.1311 0.0343
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7506 0.7425
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6747 0.6381
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.979 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Echinococcus multilocularis cysteine protease 0.002 0.1311 0.0335
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.1009 0.1009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3132 0.4901
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1213 0.281
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.1311 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.5208 0.8147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.4735 0.7408
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.1009 0.0719
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.979 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3132 0.4901
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0022 0.1657 0.0738
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1208 0.1208
Plasmodium vivax vivapain-2 0.002 0.1311 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2666 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.6392 1
Brugia malayi Cathepsin L-like precursor 0.002 0.1311 0.103
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.1311 0.103
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0053 0.6392 0.6275
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.1311 0.2051
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0025 0.2123 0.1269
Onchocerca volvulus 0.002 0.1311 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.1311 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0042 0.4742 0.4251
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1213 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1009 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.4735 0.7408
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.1311 0.0335
Echinococcus multilocularis GPCR, family 2 0.0019 0.1208 0.0221
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.3084 0.4826
Onchocerca volvulus Cathepsin L homolog 0.002 0.1311 1
Leishmania major cathepsin L-like protease 0.002 0.1311 0.0343
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.1311 0.103
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1208 0.0221
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.1311 0.1311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.1213 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Onchocerca volvulus 0.002 0.1311 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.6747 0.6747
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.1311 0.0335
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.979 1
Giardia lamblia GTOR 0.0053 0.6392 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.1009 0.0719
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1208 0.0924
Brugia malayi Cathepsin L-like precursor 0.002 0.1311 0.103
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1208 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0053 0.6392 0.613
Onchocerca volvulus 0.002 0.1311 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.3084 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2666 0.4171
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0053 0.6392 0.613
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Onchocerca volvulus 0.002 0.1311 1
Leishmania major cathepsin L-like protease 0.0075 0.979 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0053 0.6392 0.613
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Echinococcus multilocularis cysteine protease 0.002 0.1311 0.0335
Loa Loa (eye worm) hypothetical protein 0.006 0.7506 0.7506
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.1311 0.2051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2666 0.4171
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.1009 0.1579
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.1311 0.103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0053 0.6392 1
Schistosoma mansoni hypothetical protein 0.0041 0.4591 0.4416
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.3132 0.4901
Leishmania major cathepsin L-like protease 0.0075 0.979 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1208 0.0924
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1208 0.0924
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.7329 0.7198
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6747 0.6641
Brugia malayi Cathepsin L-like precursor 0.002 0.1311 0.103
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0042 0.4742 0.4251
Loa Loa (eye worm) hypothetical protein 0.0013 0.0313 0.0313
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0053 0.6392 1
Loa Loa (eye worm) hypothetical protein 0.002 0.1311 0.1311
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.1213 0.0929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0466 0.0729
Toxoplasma gondii cathepsin CPL 0.002 0.1311 0.3036
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0053 0.6392 0.613
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.4317 0.6753
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.1311 0.2051
Leishmania major cathepsin L-like protease 0.002 0.1311 0.0343
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.1311 0.2051
Schistosoma mansoni hypothetical protein 0.0019 0.1208 0.0924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1208 0.1208
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.2666 0.4171
Onchocerca volvulus Cathepsin F homolog 0.002 0.1311 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.4735 0.7408
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7506 0.7506
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.979 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0313 0.0313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.4735 0.7408
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.979 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1213 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.6392 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0313 0.049
Onchocerca volvulus 0.002 0.1311 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.1311 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 22.3872 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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