Detailed information for compound 1199441

Basic information

Technical information
  • TDR Targets ID: 1199441
  • Name: 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl] -N-(furan-2-ylmethyl)benzamide
  • MW: 398.475 | Formula: C21H22N2O4S
  • H donors: 2 H acceptors: 3 LogP: 2.98 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccco1)C
  • InChi: 1S/C21H22N2O4S/c1-15-5-6-16(2)20(12-15)28(25,26)23-13-17-7-9-18(10-8-17)21(24)22-14-19-4-3-11-27-19/h3-12,23H,13-14H2,1-2H3,(H,22,24)
  • InChiKey: RMDPQEQNENODMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(2-furylmethyl)benzamide
  • AQ-750/42210261
  • 4-({[(2,5-dimethylphenyl)sulfonyl]amino}methyl)-N-(2-furylmethyl)benzamide
  • MLS000547924
  • SMR000113750
  • ZINC00630793
  • T5891093

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
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
Brugia malayi beta-lactamase 0.0037 0.0315 0.0464
Brugia malayi Cathepsin L-like precursor 0.0017 0.0034 0.0051
Echinococcus granulosus tumor protein p63 0.068 0.9541 0.9541
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0264 0.0389
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0649 0.8862
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.023 0.0339
Schistosoma mansoni smad1 5 8 and 0.0033 0.0264 0.0264
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0075
Echinococcus multilocularis microtubule associated protein 2 0.0712 1 1
Brugia malayi MH2 domain containing protein 0.0033 0.0264 0.0389
Schistosoma mansoni zinc finger protein 0.0016 0.0011 0.0011
Brugia malayi beta-lactamase family protein 0.0037 0.0315 0.0464
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0259 0.351 0.5167
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0315 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0579 0.0853
Loa Loa (eye worm) hypothetical protein 0.0031 0.023 0.0339
Brugia malayi Cathepsin L-like precursor 0.0017 0.0034 0.0051
Schistosoma mansoni smad1 5 8 and 0.0033 0.0264 0.0264
Brugia malayi Cathepsin L-like precursor 0.0017 0.0034 0.0051
Echinococcus multilocularis musashi 0.0027 0.018 0.018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0579 0.0579
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0315 1
Schistosoma mansoni smad 0.0033 0.0264 0.0264
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0034 0.0034
Echinococcus multilocularis cysteine protease 0.0017 0.0034 0.0034
Echinococcus multilocularis tar DNA binding protein 0.0259 0.351 0.351
Brugia malayi RNA binding protein 0.0259 0.351 0.5167
Mycobacterium ulcerans lipase LipD 0.0037 0.0315 0.5
Leishmania major cathepsin L-like protease 0.0066 0.0731 1
Brugia malayi Bromodomain containing protein 0.0077 0.0887 0.1306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.1189 0.175
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0037 0.0037
Toxoplasma gondii ABC1 family protein 0.0037 0.0315 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0037 0.0037
Brugia malayi TAR-binding protein 0.0259 0.351 0.5167
Loa Loa (eye worm) intermediate filament protein 0.0027 0.018 0.0264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0037 0.0037
Leishmania major cathepsin L-like protease 0.0017 0.0034 0.0324
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0034 0.0034
Brugia malayi Cathepsin L-like precursor 0.0017 0.0034 0.0051
Echinococcus granulosus zinc finger protein 0.002 0.0074 0.0074
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0579 0.0579
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0034 0.0051
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0034 0.5
Onchocerca volvulus 0.0027 0.018 0.148
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.018 0.0264
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0315 0.0315
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0034 0.0283
Echinococcus granulosus GPCR family 2 0.0031 0.023 0.023
Leishmania major cathepsin L-like protease 0.0017 0.0034 0.0324
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0315 0.4223
Entamoeba histolytica cysteine protease, putative 0.0017 0.0034 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.3163 1
Leishmania major cathepsin L-like protease 0.0017 0.0034 0.0324
Schistosoma mansoni hypothetical protein 0.0031 0.023 0.023
Onchocerca volvulus 0.0099 0.1214 1
Brugia malayi MH1 domain containing protein 0.0018 0.0051 0.0075
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0315 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.023 0.023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0579 0.0579
Schistosoma mansoni microtubule-associated protein tau 0.0712 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0034 0.5
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0315 0.5
Loa Loa (eye worm) beta-lactamase 0.0037 0.0315 0.0464
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0264 0.0389
Loa Loa (eye worm) hypothetical protein 0.0037 0.0315 0.0464
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0315 0.0315
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0315 0.4223
Brugia malayi Cathepsin L-like precursor 0.0017 0.0034 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0579 0.0579
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0314 0.0314
Schistosoma mansoni lamin 0.0027 0.018 0.018
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0034 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0259 0.351 0.351
Loa Loa (eye worm) hypothetical protein 0.0027 0.018 0.0264
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.023 0.0339
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0315 1
Onchocerca volvulus 0.0017 0.0034 0.0283
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0034 0.0324
Schistosoma mansoni tar DNA-binding protein 0.0259 0.351 0.351
Brugia malayi RNA recognition motif domain containing protein 0.0259 0.351 0.5167
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0017 0.0037 0.0054
Loa Loa (eye worm) hypothetical protein 0.0042 0.0384 0.0566
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0034 0.0283
Schistosoma mansoni Smad4 0.0033 0.0264 0.0264
Schistosoma mansoni intermediate filament proteins 0.0027 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0067 0.0745 0.1097
Onchocerca volvulus 0.0037 0.0315 0.2594
Brugia malayi Bromodomain containing protein 0.0039 0.0349 0.0513
Brugia malayi Smad1 0.0033 0.0264 0.0389
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0034 0.5
Brugia malayi MH1 domain containing protein 0.0033 0.0264 0.0389
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Echinococcus multilocularis smad 0.0033 0.0264 0.0264
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0037 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0259 0.351 0.351
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0037 0.0037
Schistosoma mansoni bromodomain containing protein 0.0065 0.0715 0.0715
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0314 0.0314
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0264 0.0264
Echinococcus multilocularis zinc finger protein 0.002 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0016 0.0011 0.0011
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0034 0.5
Brugia malayi MH2 domain containing protein 0.0488 0.6794 1
Loa Loa (eye worm) nuclear factor I 0.0018 0.0051 0.0075
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0037 0.0037
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0067 0.0745 0.0745
Echinococcus granulosus lamin 0.0027 0.018 0.018
Brugia malayi beta-lactamase family protein 0.0037 0.0315 0.0464
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0034 0.0034
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0731 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0579 0.0853
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0037 0.0315 0.0464
Schistosoma mansoni hypothetical protein 0.0021 0.0089 0.0089
Echinococcus granulosus intermediate filament protein 0.0027 0.018 0.018
Echinococcus multilocularis cysteine protease 0.0017 0.0034 0.0034
Echinococcus multilocularis lamin 0.0027 0.018 0.018
Trichomonas vaginalis esterase, putative 0.0037 0.0315 1
Leishmania major cathepsin L-like protease 0.0017 0.0034 0.0324
Schistosoma mansoni hypothetical protein 0.0031 0.023 0.023
Loa Loa (eye worm) fibroinase 0.0017 0.0034 0.0051
Loa Loa (eye worm) hypothetical protein 0.0017 0.0034 0.0051
Loa Loa (eye worm) transcription factor SMAD2 0.0488 0.6794 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0315 0.0315
Leishmania major cathepsin L-like protease 0.0017 0.0034 0.0324
Loa Loa (eye worm) cysteine protease 0.0017 0.0034 0.0051
Echinococcus granulosus cathepsin l1 0.0017 0.0034 0.0034
Onchocerca volvulus 0.0017 0.0034 0.0283
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0117 0.0117
Brugia malayi MH2 domain containing protein 0.0033 0.0264 0.0389
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.023 0.023
Echinococcus granulosus smad 0.0033 0.0264 0.0264
Brugia malayi Latrophilin receptor protein 2 0.0031 0.023 0.0339
Mycobacterium ulcerans beta-lactamase 0.0037 0.0315 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0264 0.0264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Schistosoma mansoni tar DNA-binding protein 0.0259 0.351 0.351
Loa Loa (eye worm) Smad1 0.0033 0.0264 0.0389
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0117 0.0117
Echinococcus multilocularis GPCR, family 2 0.0031 0.023 0.023
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0034 0.0283
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0315 1
Schistosoma mansoni zinc finger protein 0.002 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0031 0.023 0.023
Brugia malayi MH1 domain containing protein 0.0018 0.0051 0.0075
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0663 0.0663
Loa Loa (eye worm) hypothetical protein 0.0037 0.0315 0.0464
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0315 0.0464
Echinococcus granulosus tar DNA binding protein 0.0259 0.351 0.351
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0579 0.0579
Mycobacterium leprae Probable lipase LipE 0.0037 0.0315 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.1189 0.175
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0731 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0264 0.0264
Loa Loa (eye worm) MH2 domain-containing protein 0.0488 0.6794 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0315 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0825 0.1214
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0034 0.0324
Echinococcus multilocularis Smad4 0.0033 0.0264 0.0264
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0089 0.0132
Loa Loa (eye worm) hypothetical protein 0.0037 0.0315 0.0464
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.1189 0.175
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0315 1
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0046 0.0068
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0745 0.1097
Loa Loa (eye worm) hypothetical protein 0.0099 0.1214 0.1787
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0264 0.0264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0315 0.0464
Onchocerca volvulus 0.0017 0.0034 0.0283
Onchocerca volvulus 0.0017 0.0034 0.0283
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0034 0.0034
Loa Loa (eye worm) TAR-binding protein 0.0259 0.351 0.5167
Loa Loa (eye worm) hypothetical protein 0.0027 0.0172 0.0254
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0037 0.0037
Onchocerca volvulus 0.0017 0.0034 0.0283
Echinococcus granulosus lamin dm0 0.0027 0.018 0.018
Echinococcus multilocularis tumor protein p63 0.068 0.9541 0.9541
Mycobacterium ulcerans hypothetical protein 0.0037 0.0315 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0315 0.0464
Schistosoma mansoni lamin 0.0027 0.018 0.018
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0034 0.0051
Brugia malayi PHD-finger family protein 0.0025 0.0152 0.0224
Loa Loa (eye worm) hypothetical protein 0.0039 0.035 0.0515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0731 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.018 0.0264
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0034 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0579 0.0579
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0529 0.7192
Schistosoma mansoni smad1 5 8 and 0.0033 0.0264 0.0264
Leishmania major hypothetical protein, conserved 0.0037 0.0315 0.4223
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0117 0.0117
Leishmania major cathepsin L-like protease 0.0066 0.0731 1
Loa Loa (eye worm) RNA binding protein 0.0259 0.351 0.5167
Onchocerca volvulus 0.0017 0.0034 0.0283
Onchocerca volvulus 0.0027 0.018 0.148
Onchocerca volvulus 0.0017 0.0034 0.0283
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0663 0.0663
Onchocerca volvulus 0.0037 0.0315 0.2594
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0579 0.0579
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0315 0.4223
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.1214 0.1214
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0034 0.0034
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0315 0.0464
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.1189 0.175
Onchocerca volvulus 0.0037 0.0315 0.2594
Echinococcus granulosus Smad4 0.0033 0.0264 0.0264
Brugia malayi intermediate filament protein 0.0027 0.018 0.0264
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0044 0.0413 0.0607
Loa Loa (eye worm) ctsf protein 0.0017 0.0034 0.0051
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0731 1
Leishmania major cathepsin L-like protease 0.0066 0.0731 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0264 0.0264
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0315 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.023 0.023
Schistosoma mansoni tar DNA-binding protein 0.0259 0.351 0.351
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0034 0.0051
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.023 0.023
Brugia malayi Cathepsin L-like precursor 0.0017 0.0034 0.0051
Brugia malayi MH1 domain containing protein 0.0033 0.0264 0.0389
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0731 1
Echinococcus multilocularis lamin dm0 0.0027 0.018 0.018

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 16.5113 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) = 22.3872 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) = 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) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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