Detailed information for compound 1559001

Basic information

Technical information
  • TDR Targets ID: 1559001
  • Name: 4-amino-N'-(furan-2-ylmethyl)-N'-[1-(4-methox yphenyl)-2-oxo-2-(phenylmethylamino)ethyl]-1, 2-thiazole-3,5-dicarboxamide
  • MW: 519.572 | Formula: C26H25N5O5S
  • H donors: 3 H acceptors: 4 LogP: 2.96 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)C(=O)NCc1ccccc1
  • InChi: 1S/C26H25N5O5S/c1-35-18-11-9-17(10-12-18)22(25(33)29-14-16-6-3-2-4-7-16)31(15-19-8-5-13-36-19)26(34)23-20(27)21(24(28)32)30-37-23/h2-13,22H,14-15,27H2,1H3,(H2,28,32)(H,29,33)
  • InChiKey: HZNWBVDNWZZFHD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-amino-N'-(2-furylmethyl)-N'-[1-(4-methoxyphenyl)-2-oxo-2-(phenylmethylamino)ethyl]isothiazole-3,5-dicarboxamide
  • 4-amino-N'-[2-(benzylamino)-2-keto-1-(4-methoxyphenyl)ethyl]-N'-(2-furylmethyl)isothiazole-3,5-dicarboxamide
  • ASN 03779385
  • Oprea1_708447

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 ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
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
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
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
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
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
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
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0014 0.0005 0.0005
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0019 0.0063 0.0063
Loa Loa (eye worm) CAMK protein kinase 0.0016 0.0033 0.0086
Loa Loa (eye worm) TK/KIN16 protein kinase 0.038 0.3794 1
Onchocerca volvulus 0.0343 0.3413 0.9308
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0485 0.1279
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0005 0.0005
Echinococcus granulosus tyrosine protein kinase Fyn 0.0014 0.0005 0.003
Onchocerca volvulus 0.0356 0.3547 0.9674
Onchocerca volvulus 0.0343 0.3413 0.9308
Echinococcus multilocularis tyrosine protein kinase otk 0.0014 0.0007 0.0007
Echinococcus granulosus contactin 0.0019 0.0063 0.0367
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.0063 0.0167
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0167
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0343 0.3413 0.8995
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Loa Loa (eye worm) hypothetical protein 0.006 0.0485 0.1279
Schistosoma mansoni nephrin 0.0022 0.0093 0.0615
Loa Loa (eye worm) hypothetical protein 0.018 0.173 0.4558
Loa Loa (eye worm) hypothetical protein 0.0146 0.1378 0.363
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0343 0.3413 0.8995
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0097 0.5
Toxoplasma gondii exonuclease III APE 0.0023 0.0097 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.173 0.4558
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0197 0.1898 0.5002
Onchocerca volvulus Tyrosine kinase homolog 0.0367 0.3666 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.1373 0.3619
Brugia malayi ephrin receptor 1 precursor 0.0074 0.063 0.1661
Echinococcus granulosus titin 0.0016 0.0033 0.0188
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0097 0.5
Brugia malayi hypothetical protein 0.0197 0.1898 0.5002
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0014 0.0005 0.003
Echinococcus granulosus GPCR family 2 0.0019 0.0059 0.0343
Loa Loa (eye worm) hypothetical protein 0.0146 0.1378 0.363
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0308
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0197 0.1898 0.5002
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0097 1
Brugia malayi hypothetical protein 0.0016 0.0029 0.0078
Echinococcus multilocularis lachesin 0.0014 0.0007 0.0007
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0197 0.1898 0.5002
Echinococcus granulosus tyrosine protein kinase Fyn 0.0014 0.0005 0.003
Echinococcus granulosus roundabout 2 0.0019 0.0063 0.0367
Onchocerca volvulus 0.0343 0.3413 0.9308
Onchocerca volvulus 0.0197 0.1898 0.5168
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0097 0.0256
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Echinococcus granulosus c src tyrosine kinase 0.0014 0.0005 0.003
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0005 0.0005
Brugia malayi LBP/BPI 0.0146 0.1378 0.363
Echinococcus granulosus tyrosine protein kinase Fyn 0.0014 0.0005 0.003
Loa Loa (eye worm) hypothetical protein 0.0197 0.1898 0.5002
Brugia malayi Peroxidasin 0.0014 0.0007 0.0017
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0059 0.0059
Echinococcus multilocularis GPCR, family 2 0.0019 0.0059 0.0059
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0007 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0007 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0007 0.0017
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Onchocerca volvulus 0.0016 0.0033 0.0071
Brugia malayi Tyrosine-protein kinase abl-1 0.0014 0.0005 0.0014
Schistosoma mansoni neuroglian 0.0019 0.0063 0.0409
Schistosoma mansoni hypothetical protein 0.0019 0.0059 0.038
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0019 0.0063 0.0167
Loa Loa (eye worm) hypothetical protein 0.0343 0.3413 0.8995
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0014 0.0005 0.0005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0434 0.0434
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0485 0.1279
Loa Loa (eye worm) hypothetical protein 0.01 0.0895 0.2358
Echinococcus multilocularis roundabout 2 0.0019 0.0063 0.0063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.3011
Brugia malayi hypothetical protein 0.0146 0.1378 0.363
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0434 0.1144
Loa Loa (eye worm) hypothetical protein 0.0197 0.1898 0.5002
Brugia malayi Fibronectin type III domain containing protein 0.0016 0.0029 0.0078
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0197 0.1898 0.5002
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0146 0.1378 0.363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.3011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0434 0.2509
Schistosoma mansoni ephrin receptor 0.0151 0.1429 1
Echinococcus multilocularis neuroglian 0.0017 0.0036 0.0036
Brugia malayi SRC-1 0.0014 0.0005 0.0014
Loa Loa (eye worm) hypothetical protein 0.0197 0.1898 0.5002
Loa Loa (eye worm) hypothetical protein 0.0146 0.1378 0.363
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0197 0.1898 0.5002
Loa Loa (eye worm) hypothetical protein 0.0074 0.0631 0.1663
Brugia malayi Immunoglobulin I-set domain containing protein 0.038 0.3794 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0029 0.0078
Echinococcus multilocularis hemicentin 1 0.0014 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0197 0.1898 0.5002
Echinococcus multilocularis roundabout 2 0.0019 0.0063 0.0063
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0097 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0019 0.0063 0.0063
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0097 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Schistosoma mansoni cell adhesion molecule 0.0014 0.0007 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0288 0.076
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.1378 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0059 0.0343
Echinococcus granulosus lachesin 0.0014 0.0007 0.0038
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0434 0.1144
Echinococcus granulosus roundabout 2 0.003 0.0174 0.1005
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0016 0.0033 0.0086
Echinococcus multilocularis neuroglian 0.0019 0.0063 0.0063
Brugia malayi Muscleblind-like protein 0.018 0.173 0.4558
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0156
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0019 0.0063 0.0063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0007 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.3011
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0029 0.0078
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0895 1
Schistosoma mansoni hypothetical protein 0.0019 0.0059 0.038
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0007 0.0017
Echinococcus granulosus tyrosine protein kinase Src64B 0.0014 0.0005 0.003
Brugia malayi hypothetical protein 0.0197 0.1898 0.5002
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0014 0.0005 0.0005
Onchocerca volvulus 0.0343 0.3413 0.9308
Echinococcus granulosus tyrosine protein kinase Lyn 0.0019 0.0055 0.032
Onchocerca volvulus 0.0146 0.1378 0.3746
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0059 0.0156
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0014 0.0005 0.003
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0007 0.0017
Echinococcus multilocularis muscleblind protein 0.018 0.173 0.173
Schistosoma mansoni ap endonuclease 0.0023 0.0097 0.0646
Loa Loa (eye worm) hypothetical protein 0.0018 0.0054 0.0141
Echinococcus granulosus tyrosine protein kinase otk 0.0014 0.0007 0.0038
Schistosoma mansoni hypothetical protein 0.0019 0.0059 0.038
Echinococcus multilocularis roundabout 2 0.003 0.0174 0.0174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0434 0.0434
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0019 0.0063 0.0367
Schistosoma mansoni nephrin 0.0019 0.0063 0.0409
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0018 0.0054 0.031
Echinococcus granulosus tyrosine protein kinase Src42A 0.0014 0.0005 0.003
Schistosoma mansoni hypothetical protein 0.0041 0.0288 0.1987
Echinococcus multilocularis ephrin type A receptor 4 A 0.0151 0.1429 0.1429
Schistosoma mansoni cell adhesion molecule 0.0024 0.011 0.0738
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0059 0.0156
Loa Loa (eye worm) hypothetical protein 0.0016 0.0029 0.0078
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0097 0.0562
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0005 0.0005
Echinococcus granulosus titin 0.0016 0.0033 0.0188
Echinococcus multilocularis peroxidasin 0.0014 0.0007 0.0007
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1064 0.2805
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0097 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Onchocerca volvulus 0.0343 0.3413 0.9308
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0343 0.3413 0.8995
Echinococcus multilocularis c src tyrosine kinase 0.0014 0.0005 0.0005
Echinococcus granulosus twitchin 0.0022 0.0086 0.0497
Onchocerca volvulus 0.0146 0.1373 0.3734
Schistosoma mansoni roundabout 0.0014 0.0007 0.0009
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1064 0.2805
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0434 0.2509
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0007 0.0017
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0007 0.0017
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0097 0.5
Echinococcus multilocularis muscleblind protein 1 0.018 0.173 0.173
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0033 0.0191
Schistosoma mansoni cell adhesion molecule 0.0019 0.0063 0.0409
Echinococcus granulosus roundabout 2 0.0019 0.0063 0.0367
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.0063 0.0167
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0097 0.0097
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0014 0.0005 0.0005
Echinococcus granulosus ephrin type A receptor 4 A 0.0151 0.1429 0.8262
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0097 0.5
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0014 0.0007 0.0009
Echinococcus multilocularis hemicentin 1 0.0014 0.0007 0.0007
Echinococcus granulosus neuroglian 0.0019 0.0063 0.0367
Onchocerca volvulus 0.0343 0.3413 0.9308
Schistosoma mansoni hypothetical protein 0.0019 0.0059 0.038
Onchocerca volvulus 0.0343 0.3413 0.9308
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0059 0.0343
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0059 0.0156
Schistosoma mansoni titin 0.0016 0.0033 0.0191
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0019 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0017
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0007 0.0007
Brugia malayi MH2 domain containing protein 0.0116 0.1064 0.2805
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0097 0.0256
Echinococcus granulosus peroxidasin 0.0014 0.0007 0.0038
Echinococcus granulosus hemicentin 1 0.0014 0.0007 0.0038
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0308
Echinococcus multilocularis titin 0.0016 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0197 0.1898 0.5002
Brugia malayi protein unc-22 0.0016 0.0033 0.0086
Echinococcus granulosus muscleblind protein 0.018 0.173 1
Echinococcus granulosus neuroglian 0.0017 0.0036 0.0208
Schistosoma mansoni cell adhesion molecule 0.0019 0.0063 0.0409
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0059 0.0059
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0016 0.0029 0.0078
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0019 0.0063 0.0409
Schistosoma mansoni titin 0.0014 0.0007 0.0009
Brugia malayi Prion-like- 0.0014 0.0007 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0033 0.0086
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0014 0.0005 0.0005
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0014 0.0005 0.003
Echinococcus multilocularis tyrosine protein kinase Abl 0.0014 0.0005 0.0005
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0895 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.076
Onchocerca volvulus 0.0197 0.1898 0.5168
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0097 0.5
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0343 0.3413 0.8995
Schistosoma mansoni tyrosine kinase 0.0019 0.0063 0.0403
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0097 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.0063 0.0167
Loa Loa (eye worm) TK/EPH protein kinase 0.0191 0.1843 0.4858
Schistosoma mansoni septate junction protein 0.0014 0.0007 0.0009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0485 0.1279
Schistosoma mansoni septate junction protein 0.0014 0.0007 0.0009
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0024 0.0113 0.0299
Loa Loa (eye worm) SRC-1 0.0014 0.0005 0.0014
Schistosoma mansoni ap endonuclease 0.0023 0.0097 0.0646
Onchocerca volvulus 0.0343 0.3413 0.9308
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0097 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 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) 28.1838 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.
 
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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