Detailed information for compound 1419119

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.466 | Formula: C20H22N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1C(=C(SC)N=C2C1=C(O)CC(C2)(C)C)C#N
  • InChi: 1S/C20H22N2O2S/c1-20(2)9-15-18(16(23)10-20)17(14(11-21)19(22-15)25-4)12-5-7-13(24-3)8-6-12/h5-8,17,23H,9-10H2,1-4H3
  • InChiKey: SSDDKRSCPUFSBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Mycobacterium ulcerans aldehyde dehydrogenase 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
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
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
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0361 0.86
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0895 0.0895
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.042 0.0069
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0361 0.4036
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0752 0.1067
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0359 0.0359
Schistosoma mansoni chromobox protein 0.0084 0.0895 0.0604
Schistosoma mansoni tar DNA-binding protein 0.0716 0.923 1
Brugia malayi Probable ClpP-like protease 0.0323 0.4046 0.4046
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0752 0.0444
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0752 0.0444
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0361 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.042 0.0069
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0752 0.0444
Brugia malayi Isocitrate dehydrogenase 0.0048 0.042 0.042
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0359 0.8544
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0514 0.0175
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.042 0.0166
Loa Loa (eye worm) hypothetical protein 0.0775 1 1
Loa Loa (eye worm) RNA binding protein 0.0716 0.923 0.923
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 0.5
Echinococcus multilocularis chromobox protein 1 0.0084 0.0895 0.0604
Schistosoma mansoni hypothetical protein 0.0245 0.3017 0.2997
Trichomonas vaginalis esterase, putative 0.0043 0.0359 0.401
Brugia malayi beta-lactamase family protein 0.0043 0.0359 0.0359
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0048 0.042 0.0069
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.042 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0407 0.4553
Echinococcus granulosus GPCR family 2 0.0245 0.3017 0.2997
Echinococcus granulosus tar DNA binding protein 0.0716 0.923 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0111 0.1253 0.2426
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0895 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.238 0.2278
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0514 0.0175
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.042 0.042
Brugia malayi Heterochromatin protein 1 0.0084 0.0895 0.0895
Loa Loa (eye worm) hypothetical protein 0.0181 0.2173 0.2173
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.042 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0361 0.3282
Schistosoma mansoni chromobox protein 0.0084 0.0895 0.0604
Echinococcus multilocularis chromobox protein 1 0.0084 0.0895 0.0604
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0514 0.0175
Echinococcus granulosus peptidase Clp S14 family 0.0212 0.2578 0.2502
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0407 0.4553
Onchocerca volvulus 0.0043 0.0359 0.1651
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.042 0.0198
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3448 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0323 0.4046 0.4157
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0361 0.0003
Schistosoma mansoni hypothetical protein 0.0245 0.3017 0.2997
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0359 0.401
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1101 1
Schistosoma mansoni tar DNA-binding protein 0.0716 0.923 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.0047 0.0407 0.0407
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0361 0.4036
Echinococcus multilocularis GPCR, family 2 0.0245 0.3017 0.2997
Loa Loa (eye worm) hypothetical protein 0.01 0.1101 0.1101
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0361 0.4036
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0752 0.1067
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0245 0.3017 0.2997
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.238 0.2278
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.042 0.5582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0514 0.0175
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0359 0.401
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.238 0.238
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0361 0.4036
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0361 0.3282
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0455 0.508
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0323 0.4046 0.4157
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0323 0.4046 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0455 0.2092
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0361 0.4036
Loa Loa (eye worm) hypothetical protein 0.053 0.6768 0.6768
Loa Loa (eye worm) beta-lactamase 0.0043 0.0359 0.0359
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0359 0.401
Brugia malayi RNA recognition motif domain containing protein 0.0716 0.923 0.923
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.042 0.0069
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.238 0.238
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0455 0.508
Echinococcus granulosus chromobox protein 1 0.0084 0.0895 0.0604
Brugia malayi beta-lactamase family protein 0.0043 0.0359 0.0359
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.042 1
Onchocerca volvulus 0.0043 0.0359 0.1651
Loa Loa (eye worm) hypothetical protein 0.0323 0.4046 0.4046
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0361 0.86
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0359 0.8544
Schistosoma mansoni alpha-glucosidase 0.0169 0.2019 0.1871
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0514 0.0175
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0111 0.1253 0.2426
Brugia malayi N-terminal motif family protein 0.0181 0.2173 0.2173
Schistosoma mansoni hypothetical protein 0.0245 0.3017 0.2997
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0048 0.042 0.0166
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0752 0.1067
Trypanosoma brucei glucosidase, putative 0.0044 0.0361 0.86
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0245 0.3017 0.3017
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0359 0.401
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0361 0.4036
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0361 0.0361
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.238 0.2278
Brugia malayi TAR-binding protein 0.0716 0.923 0.923
Loa Loa (eye worm) hypothetical protein 0.0037 0.0273 0.0273
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0111 0.1253 0.2298
Schistosoma mansoni hypothetical protein 0.0245 0.3017 0.2997
Loa Loa (eye worm) TAR-binding protein 0.0716 0.923 0.923
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0245 0.3017 0.2997
Schistosoma mansoni hypothetical protein 0.053 0.6768 0.7225
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0514 0.0175
Echinococcus multilocularis peptidase Clp (S14 family) 0.0212 0.2578 0.2502
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0361 0.4036
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0226 0.2524
Schistosoma mansoni alpha glucosidase 0.0044 0.0361 0.0003
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0212 0.2578 0.7184
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0359 0.0359
Echinococcus granulosus chromobox protein 1 0.0084 0.0895 0.0604
Onchocerca volvulus 0.0114 0.1286 0.5917
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0212 0.2578 0.7184
Echinococcus multilocularis tar DNA binding protein 0.0716 0.923 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0514 0.0514
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0226 0.2524
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0775 1 1
Brugia malayi isocitrate dehydrogenase 0.0048 0.042 0.042
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0361 0.4036
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0361 0.4036
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0245 0.3017 0.2997
Leishmania major hypothetical protein, conserved 0.0043 0.0359 0.477
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0212 0.2578 0.6019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0514 0.0175
Schistosoma mansoni alpha-glucosidase 0.0169 0.2019 0.1871
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0361 0.0361
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0359 0.401
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0323 0.4046 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.042 0.0069
Schistosoma mansoni tar DNA-binding protein 0.0716 0.923 1
Onchocerca volvulus 0.0037 0.0273 0.1257
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0245 0.3017 0.2997
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0752 0.1067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0245 0.3017 0.3017
Schistosoma mansoni tar DNA-binding protein 0.0716 0.923 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.3017 0.3017
Brugia malayi beta-lactamase 0.0043 0.0359 0.0359
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0048 0.042 1
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.042 0.0166
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0514 0.0514
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0048 0.042 1
Schistosoma mansoni tar DNA-binding protein 0.0716 0.923 1
Brugia malayi latrophilin 2 splice variant baaae 0.053 0.6768 0.6768
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0323 0.4046 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0359 0.8544
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0323 0.4046 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0775 1 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0407 0.0407
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0407 0.1875
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.2173 1
Brugia malayi Latrophilin receptor protein 2 0.0245 0.3017 0.3017
Toxoplasma gondii hypothetical protein 0.0111 0.1253 0.2426
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1101 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Brugia malayi RNA binding protein 0.0716 0.923 0.923
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0716 0.923 0.923
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Onchocerca volvulus 0.0043 0.0359 0.1651
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0752 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0323 0.4046 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0361 0.0006
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0361 0.4801
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0752 0.0444
Schistosoma mansoni peptidase Clp (S14 family) 0.0323 0.4046 0.4157
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0752 0.1274
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0895 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.042 0.0069

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 10.4179 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 Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 14.1254 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) 14.1254 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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