Detailed information for compound 1411584

Basic information

Technical information
  • TDR Targets ID: 1411584
  • Name: (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-fura n-2-ylprop-2-en-1-one
  • MW: 327.762 | Formula: C18H14ClNO3
  • H donors: 0 H acceptors: 2 LogP: 4.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)nc(c(c2)/C=C/C(=O)c1ccco1)Cl
  • InChi: 1S/C18H14ClNO3/c1-2-22-14-7-5-12-10-13(18(19)20-15(12)11-14)6-8-16(21)17-4-3-9-23-17/h3-11H,2H2,1H3/b8-6+
  • InChiKey: YWXGZDZAWBREOQ-SOFGYWHQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-chloro-7-ethoxyquinolin-3-yl)-1-furan-2-ylprop-2-en-1-one
  • (E)-3-(2-chloro-7-ethoxy-3-quinolyl)-1-(2-furyl)prop-2-en-1-one
  • 3-(2-chloro-7-ethoxy-3-quinolyl)-1-(2-furyl)prop-2-en-1-one
  • (E)-3-(2-chloro-7-ethoxy-quinolin-3-yl)-1-furan-2-yl-prop-2-en-1-one
  • 3-(2-chloro-7-ethoxy-quinolin-3-yl)-1-furan-2-yl-prop-2-en-1-one
  • STOCK3S-42467
  • (E)-3-(2-Chloro-7-ethoxy-quinolin-3-yl)-1-furan-2-yl-propenone
  • MLS000556331
  • SMR000147648
  • AP-845/42065528
  • ZINC04668788

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4089 0.5118
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Echinococcus granulosus protein jagged 2 0.0394 0.2742 0.3352
Brugia malayi hypothetical protein 0.0202 0.1176 0.137
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus multilocularis fibropellin Ia 0.0394 0.2742 0.3431
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.1031 0.7957 0.9917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0123 0.0154
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus multilocularis Transglutaminase 0.0381 0.2636 0.3299
Echinococcus granulosus neurogenic locus notch protein 0.0394 0.2742 0.3352
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0123 0.0037
Echinococcus multilocularis slit 2 protein 0.0394 0.2742 0.3431
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0149 0.0187
Echinococcus granulosus protein jagged 1 0.0394 0.2742 0.3352
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0202 0.1176 0.1472
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Brugia malayi Trypsin family protein 0.0202 0.1176 0.137
Echinococcus granulosus fibropellin Ia 0.0394 0.2742 0.3352
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0149 0.0143
Loa Loa (eye worm) hypothetical protein 0.0119 0.0496 0.0577
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6337 0.793
Brugia malayi Cadherin domain containing protein 0.0394 0.2742 0.3352
Mycobacterium ulcerans transglutaminase family protein 0.0381 0.2636 1
Echinococcus multilocularis transmembrane protease serine 3 0.0202 0.1176 0.1472
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Loa Loa (eye worm) RNA binding protein 0.0076 0.0149 0.0143
Brugia malayi Trypsin family protein 0.0202 0.1176 0.137
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0123 0.0029
Echinococcus multilocularis tissue type plasminogen activator 0.007 0.0095 0.0118
Mycobacterium ulcerans putative transglutaminase-like protein 0.0381 0.2636 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0394 0.2742 0.3431
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Echinococcus multilocularis glycoprotein Antigen 5 0.0202 0.1176 0.1472
Echinococcus multilocularis protein jagged 1 0.0394 0.2742 0.3431
Schistosoma mansoni notch 0.0394 0.2742 0.2672
Echinococcus multilocularis enteropeptidase 0.0202 0.1176 0.1472
Schistosoma mansoni laminin gamma-3 chain 0.0394 0.2742 0.2672
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0202 0.1176 0.137
Schistosoma mansoni egf-like domain protein 0.1031 0.7957 0.7938
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus granulosus notch 0.0394 0.2742 0.3352
Loa Loa (eye worm) hypothetical protein 0.1036 0.7991 0.9959
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus granulosus glycoprotein Antigen 5 0.0202 0.1176 0.137
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0149 0.0143
Mycobacterium tuberculosis Hypothetical protein 0.0381 0.2636 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0394 0.2742 0.3431
Echinococcus multilocularis neurogenic locus notch protein 0.0394 0.2742 0.3431
Plasmodium vivax cysteine repeat modular protein 1, putative 0.007 0.0095 0.5
Echinococcus granulosus transmembrane protease serine 3 0.0202 0.1176 0.137
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.1036 0.799 0.9958
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0149 0.0055
Onchocerca volvulus 0.0381 0.2636 0.3219
Echinococcus multilocularis laminin 0.1031 0.7957 0.9958
Loa Loa (eye worm) Notch2 0.0394 0.2742 0.3388
Echinococcus multilocularis geminin 0.0205 0.1197 0.1498
Schistosoma mansoni notch 0.0394 0.2742 0.2672
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0206 0.121 0.1126
Schistosoma mansoni slit 0.0394 0.2742 0.2672
Onchocerca volvulus 0.0394 0.2742 0.3352
Echinococcus multilocularis neurogenic locus protein delta 0.0394 0.2742 0.3431
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Onchocerca volvulus Neurogenic locus notch homolog 0.0394 0.2742 0.3352
Schistosoma mansoni cell polarity protein 0.0394 0.2742 0.2672
Loa Loa (eye worm) hypothetical protein 0.1031 0.7957 0.9917
Echinococcus granulosus Transglutaminase 0.0381 0.2636 0.3218
Echinococcus granulosus Mastin 0.0202 0.1176 0.137
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.021 0.1243 0.1159
Onchocerca volvulus 0.0202 0.1176 0.137
Echinococcus multilocularis expressed conserved protein 0.0112 0.0437 0.0547
Onchocerca volvulus Putative cubilin 0.0398 0.2775 0.3395
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0202 0.1176 0.1092
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0496 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0075
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Onchocerca volvulus 0.0394 0.2742 0.3352
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Brugia malayi Delta serrate ligand family protein 0.0394 0.2742 0.3352
Echinococcus granulosus enteropeptidase 0.0202 0.1176 0.137
Mycobacterium leprae Conserved hypothetical protein 0.0381 0.2636 0.5
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus multilocularis neurogenic locus protein delta 0.0394 0.2742 0.3431
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0149 0.0055
Schistosoma mansoni notch 0.0394 0.2742 0.2672
Brugia malayi TAR-binding protein 0.0076 0.0149 0.0069
Loa Loa (eye worm) TK/ROR protein kinase 0.007 0.0095 0.0075
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0496 0.0508
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Brugia malayi Fibulin-1 precursor 0.1031 0.7957 0.9958
Brugia malayi Calcium binding EGF domain containing protein 0.0398 0.2775 0.3395
Giardia lamblia High cysteine protein 0.0394 0.2742 1
Mycobacterium tuberculosis Long conserved protein 0.0381 0.2636 1
Schistosoma mansoni hypothetical protein 0.0381 0.2636 0.2565
Echinococcus granulosus expressed conserved protein 0.0112 0.0437 0.0434
Toxoplasma gondii calcium binding egf domain-containing protein 0.1031 0.7957 1
Trichomonas vaginalis peptide N-glycanase, putative 0.0381 0.2636 0.5
Loa Loa (eye worm) notch protein 0.0394 0.2742 0.3388
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0233 0.1429 0.1347
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4089 0.5118
Brugia malayi GCC2 and GCC3 family protein 0.0394 0.2742 0.3352
Brugia malayi Cadherin domain containing protein 0.0394 0.2742 0.3352
Mycobacterium ulcerans hypothetical protein 0.0381 0.2636 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6337 0.6302
Onchocerca volvulus Slit protein homolog 0.0394 0.2742 0.3352
Onchocerca volvulus 0.0394 0.2742 0.3352
Echinococcus granulosus slit 2 protein 0.0394 0.2742 0.3352
Echinococcus multilocularis protein jagged 1 0.0394 0.2742 0.3431
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Brugia malayi Trypsin family protein 0.0202 0.1176 0.137
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0511 0.042
Echinococcus multilocularis fibrillin 1 0.1031 0.7957 0.9958
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0496 0.0621
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0202 0.1176 0.1092
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0202 0.1176 0.137
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0202 0.1176 0.1092
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus multilocularis Mastin 0.0202 0.1176 0.1472
Onchocerca volvulus 0.0202 0.1176 0.137
Schistosoma mansoni hypothetical protein 0.0205 0.1197 0.1113
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0394 0.2742 0.3352
Onchocerca volvulus Arrow homolog 0.1036 0.799 1
Echinococcus granulosus protein jagged 2 0.0394 0.2742 0.3352
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0149 0.0055
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0394 0.2742 0.3352
Brugia malayi notch-like transmembrane receptor 0.0394 0.2742 0.3352
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Onchocerca volvulus 0.0202 0.1176 0.137
Echinococcus granulosus neurogenic locus notch protein 0.0394 0.2742 0.3352
Mycobacterium leprae Conserved hypothetical protein 0.0381 0.2636 0.5
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Schistosoma mansoni notch 0.0394 0.2742 0.2672
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1036 0.7991 0.7972
Echinococcus granulosus delta-like protein 1 0.0394 0.2742 0.3352
Loa Loa (eye worm) hypothetical protein 0.1036 0.799 0.9958
Echinococcus granulosus Tolloid protein 1 0.1036 0.7991 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0202 0.1176 0.1472
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0123 0.0029
Mycobacterium tuberculosis Conserved hypothetical protein 0.0381 0.2636 1
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0394 0.2742 0.2672
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Schistosoma mansoni hypothetical protein 0.0205 0.1197 0.1113
Toxoplasma gondii EGF family domain-containing protein 0.0394 0.2742 0.3366
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Mycobacterium tuberculosis Conserved hypothetical protein 0.0381 0.2636 1
Loa Loa (eye worm) hypothetical protein 0.1031 0.7957 0.9917
Schistosoma mansoni septate junction protein 0.0394 0.2742 0.2672
Onchocerca volvulus 0.0202 0.1176 0.137
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0149 0.0055
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Brugia malayi Trypsin family protein 0.0202 0.1176 0.137
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Brugia malayi Trypsin-like protease protein 5 0.0202 0.1176 0.137
Brugia malayi RNA binding protein 0.0076 0.0149 0.0069
Echinococcus multilocularis neurogenic locus notch protein 0.0394 0.2742 0.3431
Onchocerca volvulus 0.0394 0.2742 0.3352
Echinococcus granulosus laminin 0.1031 0.7957 0.9957
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Loa Loa (eye worm) hypothetical protein 0.0416 0.2922 0.3614
Echinococcus granulosus neurogenic locus protein delta 0.0394 0.2742 0.3352
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.753 0.9423
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0095 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0149 0.0055
Echinococcus multilocularis Tolloid protein 1 0.1036 0.7991 1
Mycobacterium tuberculosis Conserved protein 0.0381 0.2636 1
Onchocerca volvulus 0.0202 0.1176 0.137
Brugia malayi Muscle positioning protein 4 0.0416 0.2922 0.3581
Echinococcus granulosus geminin 0.0205 0.1197 0.1396
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0496 0.0508
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0123 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0202 0.1176 0.1092
Brugia malayi Calcium binding EGF domain containing protein 0.0394 0.2742 0.3352
Echinococcus multilocularis neural cadherin 0.0394 0.2742 0.3431
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6337 0.7906
Mycobacterium ulcerans hypothetical protein 0.0381 0.2636 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0202 0.1176 0.1092
Echinococcus multilocularis protein jagged 2 0.0394 0.2742 0.3431
Echinococcus granulosus neurogenic locus notch protein 4 0.0394 0.2742 0.3352
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0202 0.1176 0.137
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Toxoplasma gondii calcium binding egf domain-containing protein 0.1031 0.7957 1
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Brugia malayi Calcium binding EGF domain containing protein 0.1031 0.7957 0.9958
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.0913 0.1036
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Onchocerca volvulus 0.0202 0.1176 0.137
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0202 0.1176 0.1092
Echinococcus granulosus tar DNA binding protein 0.0076 0.0149 0.0069
Plasmodium falciparum cysteine repeat modular protein 1 0.007 0.0095 0.5
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4089 0.5059
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.1036 0.799 1
Schistosoma mansoni hypothetical protein 0.0394 0.2742 0.2672
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1036 0.7991 0.9959
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0149 0.0069
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0123 0.0036
Mycobacterium ulcerans hypothetical protein 0.0202 0.1176 0.419
Brugia malayi Thioredoxin family protein 0.0381 0.2636 0.3219
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Schistosoma mansoni hypothetical protein 0.0202 0.1176 0.1092
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Schistosoma mansoni notch 0.0394 0.2742 0.2672
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Loa Loa (eye worm) trypsin family protein 0.0202 0.1176 0.1429
Loa Loa (eye worm) hypothetical protein 0.104 0.8024 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus granulosus protein jagged 1 0.0394 0.2742 0.3352
Loa Loa (eye worm) hypothetical protein 0.0398 0.2775 0.343
Loa Loa (eye worm) hypothetical protein 0.0202 0.1176 0.1429
Echinococcus granulosus neural cadherin 0.0394 0.2742 0.3352
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.0913 0.1143
Schistosoma mansoni hypothetical protein 0.0202 0.1176 0.1092
Loa Loa (eye worm) hypothetical protein 0.0394 0.2742 0.3388
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4089 0.5059
Echinococcus multilocularis notch 0.0394 0.2742 0.3431
Onchocerca volvulus 0.0416 0.2922 0.3581
Schistosoma mansoni notch 0.0394 0.2742 0.2672
Schistosoma mansoni cercarial elastase (S01 family) 0.0202 0.1176 0.1092
Brugia malayi EGF-like domain containing protein 0.0394 0.2742 0.3352
Brugia malayi Calcium binding EGF domain containing protein 0.0394 0.2742 0.3352

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 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) 7.9433 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 8.9125 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) 10.3225 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 16.3601 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. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 56.2341 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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

Bibliographic References

No literature references available for this target.

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