Detailed information for compound 1329496

Basic information

Technical information
  • TDR Targets ID: 1329496
  • Name: 1-(4-tert-butylphenyl)sulfonyl-N-(4,5-dihydro -1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
  • MW: 395.539 | Formula: C18H25N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)NC1=NCCS1
  • InChi: 1S/C18H25N3O3S2/c1-18(2,3)13-6-8-14(9-7-13)26(23,24)21-11-4-5-15(21)16(22)20-17-19-10-12-25-17/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,20,22)
  • InChiKey: GLSBSEGSDVHWIK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-tert-butylphenyl)sulfonyl-N-(4,5-dihydrothiazol-2-yl)pyrrolidine-2-carboxamide
  • 1-(4-tert-butylphenyl)sulfonyl-N-(4,5-dihydrothiazol-2-yl)-2-pyrrolidinecarboxamide
  • MLS000096541
  • SMR000062428
  • T0514-6583

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glutaminase 0.0295 0.108 0.1641
Trypanosoma brucei PAB1-binding protein , putative 0.0159 0.0511 0.6047
Schistosoma mansoni hypothetical protein 0.0074 0.0152 0.0231
Brugia malayi G-protein alpha subunit 0.0053 0.0065 0.0065
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0053 0.0065 0.0099
Trypanosoma cruzi PAB1-binding protein , putative 0.0159 0.0511 0.6047
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0053 0.0065 0.013
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0798 0.3184 0.3184
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0053 0.0065 0.013
Schistosoma mansoni GTP-binding protein alpha subunit 0.0053 0.0065 0.0099
Loa Loa (eye worm) MH2 domain-containing protein 0.0074 0.0153 0.0153
Brugia malayi mothers against decapentaplegic homolog 3 0.0074 0.0153 0.0153
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2353 0.9696 0.9696
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1234 0.501 0.7615
Echinococcus multilocularis GPCR, family 2 0.0744 0.2961 0.591
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0053 0.0065 0.0065
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0053 0.0065 0.0099
Brugia malayi hypothetical protein 0.0466 0.1795 0.1795
Leishmania major hypothetical protein, conserved 0.0159 0.0511 0.6047
Loa Loa (eye worm) nuclear factor I 0.0091 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0744 0.2961 0.591
Schistosoma mansoni smad1 5 8 and 0.0165 0.0535 0.0814
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0053 0.0065 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.007 0.0051
Brugia malayi Latrophilin receptor protein 2 0.0744 0.2961 0.2961
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0235 0.0827 1
Mycobacterium ulcerans glutaminase 0.0295 0.108 0.5
Schistosoma mansoni hypothetical protein 0.1608 0.6578 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0074 0.0153 0.0504
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0027 0.0027
Brugia malayi isocitrate dehydrogenase 0.0235 0.0827 0.0827
Schistosoma mansoni tar DNA-binding protein 0.0798 0.3184 0.484
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1234 0.501 0.501
Brugia malayi Smad1 0.0165 0.0535 0.0535
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0235 0.0827 0.165
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0053 0.0065 0.013
Brugia malayi Calcitonin receptor-like protein seb-1 0.2353 0.9696 0.9696
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0152 0.0231
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0053 0.0065 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2353 0.9696 0.9696
Trichomonas vaginalis glutaminase, putative 0.0295 0.108 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0235 0.0827 1
Brugia malayi RNA binding protein 0.0798 0.3184 0.3184
Brugia malayi hypothetical protein 0.0053 0.0065 0.0065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1234 0.501 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0235 0.0827 0.165
Brugia malayi TAR-binding protein 0.0798 0.3184 0.3184
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0053 0.0065 0.013
Trypanosoma cruzi PAB1-binding protein , putative 0.0159 0.0511 0.6047
Entamoeba histolytica hypothetical protein 0.0074 0.0152 0.3654
Brugia malayi MH1 domain containing protein 0.0091 0.0226 0.0226
Echinococcus multilocularis geminin 0.0345 0.129 0.2575
Echinococcus granulosus tar DNA binding protein 0.0798 0.3184 0.6355
Echinococcus multilocularis mothers against decapentaplegic 5 0.0165 0.0535 0.1069
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0053 0.0065 0.0065
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0053 0.0065 0.0099
Schistosoma mansoni smad 0.0074 0.0153 0.0232
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0235 0.0827 0.1257
Echinococcus multilocularis Smad4 0.0165 0.0535 0.1069
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0053 0.0065 0.013
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0053 0.0065 0.0065
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0235 0.0827 1
Loa Loa (eye worm) hypothetical protein 0.0744 0.2961 0.2961
Toxoplasma gondii isocitrate dehydrogenase 0.0235 0.0827 1
Toxoplasma gondii isocitrate dehydrogenase 0.0235 0.0827 1
Schistosoma mansoni Smad4 0.0074 0.0153 0.0232
Brugia malayi N-terminal motif family protein 0.076 0.3026 0.3026
Schistosoma mansoni tar DNA-binding protein 0.0798 0.3184 0.484
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.0302 1
Entamoeba histolytica hypothetical protein 0.0074 0.0152 0.3654
Echinococcus granulosus dna polymerase eta 0.0044 0.0027 0.0055
Echinococcus multilocularis mothers against decapentaplegic 2 0.0074 0.0153 0.0305
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0165 0.0535 0.0814
Brugia malayi MH1 domain containing protein 0.0165 0.0535 0.0535
Giardia lamblia Kinase, PLK 0.011 0.0302 0.5
Echinococcus multilocularis mothers against decapentaplegic 6 0.0074 0.0153 0.0305
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0065
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.0302 0.3437
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0053 0.0065 0.0065
Echinococcus multilocularis isocitrate dehydrogenase 0.0235 0.0827 0.165
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1234 0.501 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0235 0.0827 1
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0053 0.0065 0.0099
Brugia malayi MH2 domain containing protein 0.0165 0.0535 0.0535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1234 0.501 1
Echinococcus granulosus geminin 0.0345 0.129 0.2575
Brugia malayi hypothetical protein 0.0074 0.0152 0.0152
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0071 0.0143 0.0285
Echinococcus granulosus mothers against decapentaplegic 5 0.0165 0.0535 0.1069
Loa Loa (eye worm) hypothetical protein 0.0044 0.0027 0.0027
Schistosoma mansoni serine/threonine protein kinase 0.011 0.0302 0.0459
Schistosoma mansoni smad1 5 8 and 0.0165 0.0535 0.0814
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1234 0.501 1
Schistosoma mansoni hypothetical protein 0.0744 0.2961 0.4501
Brugia malayi MH1 domain containing protein 0.0091 0.0226 0.0226
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0053 0.0065 0.013
Loa Loa (eye worm) Smad1 0.0165 0.0535 0.0535
Loa Loa (eye worm) MH2 domain-containing protein 0.2425 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1234 0.501 0.7615
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.0302 0.3437
Loa Loa (eye worm) MH1 domain-containing protein 0.0165 0.0535 0.0535
Onchocerca volvulus 0.0053 0.0065 0.0216
Loa Loa (eye worm) hypothetical protein 0.0159 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.0074 0.0153 0.0153
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0053 0.0065 0.013
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0053 0.0065 0.0065
Echinococcus granulosus mothers against decapentaplegic 6 0.0074 0.0153 0.0305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1234 0.501 0.7615
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0053 0.0065 0.0099
Schistosoma mansoni hypothetical protein 0.0744 0.2961 0.4501
Onchocerca volvulus 0.0053 0.0065 0.0216
Schistosoma mansoni tar DNA-binding protein 0.0798 0.3184 0.484
Schistosoma mansoni smad 0.0165 0.0535 0.0814
Entamoeba histolytica hypothetical protein 0.0074 0.0152 0.3654
Loa Loa (eye worm) latrophilin receptor protein 2 0.0744 0.2961 0.2961
Brugia malayi glutaminase DH11.1 0.0295 0.108 0.108
Loa Loa (eye worm) MH2 domain-containing protein 0.0165 0.0535 0.0535
Loa Loa (eye worm) G protein alpha subunit 3 0.0053 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.076 0.3026 0.3026
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0235 0.0827 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0744 0.2961 0.591
Loa Loa (eye worm) MH1 domain-containing protein 0.0074 0.0153 0.0153
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0053 0.0065 0.0099
Schistosoma mansoni DNA polymerase eta 0.0044 0.0027 0.0042
Loa Loa (eye worm) isocitrate dehydrogenase 0.0235 0.0827 0.0827
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0235 0.0827 0.165
Schistosoma mansoni tar DNA-binding protein 0.0798 0.3184 0.484
Echinococcus multilocularis smad 0.0165 0.0535 0.1069
Echinococcus granulosus TGF beta signal transducer SmadC 0.0165 0.0535 0.1069
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0235 0.0827 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.007 0.0051
Schistosoma mansoni tar DNA-binding protein 0.0798 0.3184 0.484
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0053 0.0065 0.013
Onchocerca volvulus 0.0466 0.1795 0.5932
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0071 0.0143 0.0285
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0152 0.0303
Brugia malayi hypothetical protein 0.0159 0.0511 0.0511
Toxoplasma gondii LsmAD domain-containing protein 0.0159 0.0511 0.6178
Schistosoma mansoni hypothetical protein 0.0744 0.2961 0.4501
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.0302 0.0302
Brugia malayi RNA recognition motif domain containing protein 0.0798 0.3184 0.3184
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0053 0.0065 0.0099
Loa Loa (eye worm) hypothetical protein 0.2353 0.9696 0.9696
Echinococcus granulosus GPCR family 2 0.0744 0.2961 0.591
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0053 0.0065 0.0065
Schistosoma mansoni Smad4 0.0165 0.0535 0.0814
Schistosoma mansoni Smad4 0.0074 0.0153 0.0232
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0744 0.2961 0.591
Brugia malayi MH2 domain containing protein 0.0165 0.0535 0.0535
Brugia malayi hypothetical protein 0.0103 0.0274 0.0274
Schistosoma mansoni kinase 0.0056 0.0076 0.0116
Trypanosoma brucei polo-like protein kinase 0.011 0.0302 0.3437
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0053 0.0065 0.0099
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0053 0.0065 0.0065
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0053 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.1608 0.6578 0.6578
Brugia malayi latrophilin 2 splice variant baaae 0.1608 0.6578 0.6578
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.0302 0.0998
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0053 0.0065 0.013
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0152 0.0303
Onchocerca volvulus 0.0053 0.0065 0.0216
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.0302 0.0603
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0235 0.0827 1
Schistosoma mansoni GTP-binding protein alpha subunit 0.0053 0.0065 0.0099
Loa Loa (eye worm) hypothetical protein 0.0466 0.1795 0.1795
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.0302 0.0302
Schistosoma mansoni hypothetical protein 0.0345 0.129 0.1961
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0235 0.0827 1
Brugia malayi Isocitrate dehydrogenase 0.0235 0.0827 0.0827
Loa Loa (eye worm) glutaminase 2 0.0295 0.108 0.108
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.076 0.3026 1
Schistosoma mansoni hypothetical protein 0.0071 0.0143 0.0217
Echinococcus multilocularis dna polymerase eta 0.0044 0.0027 0.0055
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0053 0.0065 0.013
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0053 0.0065 0.0065
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.0302 0.0603
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0165 0.0535 0.1069
Schistosoma mansoni smad1 5 8 and 0.0165 0.0535 0.0814
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0235 0.0827 0.165
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0053 0.0065 0.0065
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.0302 0.3437
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0053 0.0065 0.0099
Brugia malayi MH2 domain containing protein 0.0074 0.0153 0.0153
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0744 0.2961 0.2961
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Schistosoma mansoni hypothetical protein 0.0345 0.129 0.1961
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0744 0.2961 0.591
Loa Loa (eye worm) TAR-binding protein 0.0798 0.3184 0.3184
Echinococcus granulosus Smad4 0.0165 0.0535 0.1069
Entamoeba histolytica hypothetical protein 0.0074 0.0152 0.3654
Echinococcus granulosus mothers against decapentaplegic 2 0.0074 0.0153 0.0305
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Loa Loa (eye worm) hypothetical protein 0.0091 0.0226 0.0226
Loa Loa (eye worm) glutaminase 0.0295 0.108 0.108
Echinococcus multilocularis tar DNA binding protein 0.0798 0.3184 0.6355
Loa Loa (eye worm) transcription factor SMAD2 0.2425 1 1
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0053 0.0065 0.0099
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0053 0.0065 0.0065
Brugia malayi MH1 domain containing protein 0.0165 0.0535 0.0535
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0053 0.0065 0.0065
Echinococcus granulosus smad 0.0165 0.0535 0.1069
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1234 0.501 0.501
Echinococcus granulosus expressed protein 0.0053 0.0065 0.013
Loa Loa (eye worm) RNA binding protein 0.0798 0.3184 0.3184
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Echinococcus multilocularis expressed protein 0.0053 0.0065 0.013
Schistosoma mansoni hypothetical protein 0.0744 0.2961 0.4501
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0302 0.2334
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0065
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0235 0.0827 0.165

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2079 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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