Detailed information for compound 1123048

Basic information

Technical information
  • TDR Targets ID: 1123048
  • Name: N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]-1H- indole-2-carboxamide
  • MW: 381.425 | Formula: C21H23N3O4
  • H donors: 3 H acceptors: 2 LogP: 2.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)NCCCNC(=O)c1cc2c([nH]1)cccc2
  • InChi: 1S/C21H23N3O4/c1-27-18-9-8-15(13-19(18)28-2)20(25)22-10-5-11-23-21(26)17-12-14-6-3-4-7-16(14)24-17/h3-4,6-9,12-13,24H,5,10-11H2,1-2H3,(H,22,25)(H,23,26)
  • InChiKey: NVIRFPMHWSEUKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]propyl]-1H-indole-2-carboxamide
  • N-[3-[(3,4-dimethoxyphenyl)carbonylamino]propyl]-1H-indole-2-carboxamide
  • ZINC06759225
  • STK238877

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 GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 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
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 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Schistosoma mansoni cpg binding protein 0.0036 0.044 0.0369
Brugia malayi beta-lactamase 0.0079 0.1258 0.253
Schistosoma mansoni tar DNA-binding protein 0.0274 0.4972 0.4935
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0778 0.0709
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0652 0.0583
Echinococcus multilocularis importin subunit beta 1 0.003 0.0308 0.0236
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1258 0.6208
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0353 0.0281
Loa Loa (eye worm) hypothetical protein 0.0039 0.0495 0.0739
Loa Loa (eye worm) RNA binding protein 0.0274 0.4972 0.8597
Schistosoma mansoni hypothetical protein 0.0436 0.8084 0.807
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0096 0.0145
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1929 0.3867
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1929 0.3867
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0652 0.0583
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0552 0.1071
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0353 0.0281
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0652 0.0583
Loa Loa (eye worm) hypothetical protein 0.0081 0.1298 0.2149
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0276 0.051
Entamoeba histolytica hypothetical protein 0.0036 0.0429 0.1523
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.1654 0.1592
Echinococcus granulosus snurportin 1 0.0315 0.5771 0.574
Leishmania major ATP-dependent phosphofructokinase 0.0114 0.1929 1
Echinococcus granulosus GPCR family 2 0.0032 0.0353 0.0281
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0034 0.002
Trichomonas vaginalis glutaminase, putative 0.0272 0.495 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0495 0.0955
Trichomonas vaginalis ran, putative 0.0022 0.0159 0.0274
Trichomonas vaginalis chromobox protein, putative 0.007 0.1084 0.215
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.1929 1
Schistosoma mansoni hypothetical protein 0.0032 0.0353 0.0281
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.1929 0.3257
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0334 0.1592
Echinococcus granulosus 6 phosphofructokinase 0.0114 0.1929 0.1869
Schistosoma mansoni chromobox protein 0.007 0.1084 0.1017
Schistosoma mansoni glutaminase 0.0272 0.495 0.4913
Schistosoma mansoni ran 0.0022 0.0159 0.0086
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1258 0.2505
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0096 0.0145
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.1929 1
Echinococcus multilocularis 6 phosphofructokinase 0.0114 0.1929 0.1869
Schistosoma mansoni ran 0.0022 0.0159 0.0086
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.1258 0.1193
Loa Loa (eye worm) hypothetical protein 0.0031 0.0333 0.0454
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0506 0.9419 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0334 0.1592
Trichomonas vaginalis esterase, putative 0.0079 0.1258 0.2505
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.1258 0.1193
Loa Loa (eye worm) hypothetical protein 0.015 0.2609 0.4449
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0334 0.1592
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2013 0.3403
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0276 0.051
Echinococcus multilocularis fetal alzheimer antigen, falz 0.005 0.069 0.0621
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0353 0.0709
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0202 0.0359
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0652 0.0583
Toxoplasma gondii ABC1 family protein 0.0079 0.1258 1
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.1258 0.6208
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0652 0.0583
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.1654 0.2773
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0447 0.0376
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0114 0.1929 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0447 0.0376
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0552 0.2396
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0159 0.0086
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1258 0.2505
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1258 0.6208
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.1258 0.2079
Brugia malayi mbt repeat family protein 0.0048 0.0652 0.1312
Schistosoma mansoni zinc finger protein 0.0043 0.057 0.05
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0159 0.0086
Echinococcus multilocularis zinc finger protein 0.0043 0.057 0.05
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.1654 0.1592
Schistosoma mansoni hypothetical protein 0.0032 0.0364 0.0292
Brugia malayi glutaminase DH11.1 0.0272 0.495 0.9956
Echinococcus multilocularis snurportin 1 0.0315 0.5771 0.574
Schistosoma mansoni cpg binding protein 0.0031 0.0329 0.0257
Schistosoma mansoni tar DNA-binding protein 0.0274 0.4972 0.4935
Schistosoma mansoni hypothetical protein 0.0044 0.058 0.051
Echinococcus multilocularis dnaJ subfamily B 0.0436 0.8084 0.807
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.1654 0.1592
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0334 0.0629
Loa Loa (eye worm) hypothetical protein 0.0054 0.0778 0.1236
Echinococcus multilocularis cpg binding protein 0.0036 0.044 0.0369
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.1929 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0353 0.0281
Schistosoma mansoni tar DNA-binding protein 0.0274 0.4972 0.4935
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0435 0.0363
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0552 0.1071
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0435 0.0363
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0429 0.0358
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0429 0.0358
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1668 0.3355
Entamoeba histolytica hypothetical protein 0.0036 0.0429 0.1523
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0495 0.0955
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0986 0.0919
Schistosoma mansoni hypothetical protein 0.0537 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0447 0.0376
Leishmania major hypothetical protein, conserved 0.0079 0.1258 0.6208
Loa Loa (eye worm) hypothetical protein 0.0086 0.1394 0.2317
Schistosoma mansoni bromodomain containing protein 0.0136 0.2341 0.2284
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.1084 0.1772
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.3324 0.3274
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0329 0.0448
Loa Loa (eye worm) hypothetical protein 0.0079 0.1258 0.2079
Brugia malayi Importin beta-1 subunit 0.003 0.0308 0.062
Loa Loa (eye worm) glutaminase 0.0272 0.495 0.8558
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1059 0.213
Brugia malayi Heterochromatin protein 1 0.007 0.1084 0.218
Schistosoma mansoni hypothetical protein 0.0069 0.1059 0.0993
Brugia malayi RNA, U transporter 1 0.0084 0.1349 0.2714
Brugia malayi 6-phosphofructokinase 0.0114 0.1929 0.3881
Brugia malayi CHD4 protein 0.0017 0.0074 0.0148
Brugia malayi Bromodomain containing protein 0.0081 0.1295 0.2605
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0447 0.0376
Brugia malayi beta-lactamase family protein 0.0079 0.1258 0.253
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0202 0.0239
Brugia malayi phosphofructokinase 0.0114 0.1929 0.3881
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.1654 0.1592
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0778 0.0709
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0435 0.0363
Entamoeba histolytica hypothetical protein 0.0036 0.0429 0.1523
Loa Loa (eye worm) glutaminase 2 0.0272 0.495 0.8558
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0159 0.015
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0334 0.0629
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0096 0.0145
Brugia malayi Bromodomain containing protein 0.0161 0.2815 0.5662
Loa Loa (eye worm) hypothetical protein 0.0037 0.0447 0.0656
Brugia malayi beta-lactamase family protein 0.0079 0.1258 0.253
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0778 0.0709
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0308 0.1357
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1258 0.1193
Schistosoma mansoni cpg binding protein 0.0036 0.044 0.0369
Brugia malayi PHD-finger family protein 0.0055 0.0786 0.1581
Brugia malayi TAR-binding protein 0.0274 0.4972 1
Plasmodium falciparum importin beta, putative 0.003 0.0308 0.8522
Loa Loa (eye worm) hypothetical protein 0.003 0.0308 0.0412
Trypanosoma cruzi ISWI complex protein 0.0032 0.0364 0.1154
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.1199 0.1134
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0202 0.0359
Echinococcus multilocularis geminin 0.0537 1 1
Trypanosoma cruzi ISWI complex protein 0.0032 0.0364 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0274 0.4972 0.4935
Echinococcus multilocularis chromobox protein 1 0.007 0.1084 0.1017
Loa Loa (eye worm) hypothetical protein 0.0079 0.1258 0.2079
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0949 0.7187
Mycobacterium ulcerans glutaminase 0.0272 0.495 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0308 0.0236
Brugia malayi CXXC zinc finger family protein 0.0031 0.0329 0.0662
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0114 0.1929 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1668 0.2798
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0429 0.0358
Echinococcus granulosus fetal alzheimer antigen falz 0.005 0.069 0.0621
Loa Loa (eye worm) hypothetical protein 0.0032 0.0353 0.0489
Loa Loa (eye worm) hypothetical protein 0.0092 0.1505 0.2512
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0308 0.0842
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0274 0.4972 0.8597
Onchocerca volvulus 0.0079 0.1258 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0353 0.0709
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0334 0.0629
Schistosoma mansoni hypothetical protein 0.0537 1 1
Brugia malayi 6-phosphofructokinase 0.0114 0.1929 0.3881
Schistosoma mansoni zinc finger protein 0.0032 0.0364 0.0292
Brugia malayi RNA binding protein 0.0274 0.4972 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0778 0.0709
Brugia malayi RNA recognition motif domain containing protein 0.0274 0.4972 1
Schistosoma mansoni chromobox protein 0.007 0.1084 0.1017
Loa Loa (eye worm) hypothetical protein 0.0079 0.1258 0.2079
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0128 0.2196 0.2138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.1654 0.1592
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0334 0.0629
Echinococcus granulosus tar DNA binding protein 0.0274 0.4972 0.4935
Schistosoma mansoni hypothetical protein 0.0032 0.0353 0.0281
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0159 0.032
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0034 0.002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0652 0.1015
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0334 0.0988
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0353 0.0281
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1258 0.2505
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.5771 1
Onchocerca volvulus 0.0048 0.0652 0.3476
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0652 0.0583
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.005 0.069 0.0621
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0435 0.0363
Entamoeba histolytica hypothetical protein 0.0036 0.0429 0.1523
Schistosoma mansoni importin beta-1 0.003 0.0308 0.0236
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0334 1
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1258 0.2505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.1654 0.1592
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.1929 0.3257
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0334 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1668 0.2798
Schistosoma mansoni hypothetical protein 0.0315 0.5771 0.574
Mycobacterium ulcerans 6-phosphofructokinase 0.0114 0.1929 0.1818
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0096 0.0145
Echinococcus multilocularis chromobox protein 1 0.007 0.1084 0.1017
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.1654 0.3326
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1929 0.3867
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0114 0.1929 0.0823
Loa Loa (eye worm) bromodomain containing protein 0.0037 0.0459 0.0677
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0778 0.1565
Loa Loa (eye worm) hypothetical protein 0.0079 0.1258 0.2079
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0334 0.0629
Echinococcus granulosus chromobox protein 1 0.007 0.1084 0.1017
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0353 0.0489
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1258 0.1193
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1258 0.2505
Loa Loa (eye worm) hypothetical protein 0.0079 0.1258 0.2079
Leishmania major importin beta-1 subunit, putative 0.0024 0.0202 0.0239
Brugia malayi chromobox protein homolog 3 0.0039 0.0495 0.0995
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0096 0.0145
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0096 0.0145
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0202 0.0359
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.3324 0.3274
Brugia malayi hypothetical protein 0.0036 0.0429 0.0863
Echinococcus granulosus cpg binding protein 0.0036 0.044 0.0369
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.1258 0.253
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0334 0.5
Echinococcus multilocularis tar DNA binding protein 0.0274 0.4972 0.4935
Trypanosoma brucei ISWI complex protein 0.0032 0.0364 0.1154
Onchocerca volvulus 0.0079 0.1258 1
Entamoeba histolytica hypothetical protein 0.0024 0.0202 0.0239
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0334 0.1592
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1929 0.3867
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0652 0.0583
Loa Loa (eye worm) TAR-binding protein 0.0274 0.4972 0.8597
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0495 0.1782
Brugia malayi MH2 domain containing protein 0.0119 0.2013 0.4048
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0652 0.3476
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0308 0.0842
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1668 0.3355
Loa Loa (eye worm) hypothetical protein 0.0079 0.1258 0.2079
Loa Loa (eye worm) phosphofructokinase 0.0114 0.1929 0.3257
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0334 0.1592
Schistosoma mansoni tar DNA-binding protein 0.0274 0.4972 0.4935
Echinococcus granulosus dnaJ subfamily B 0.0436 0.8084 0.807
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.1929 0.1869
Echinococcus granulosus zinc finger protein 0.0043 0.057 0.05
Schistosoma mansoni hypothetical protein 0.0289 0.5266 0.5231
Leishmania major hypothetical protein, conserved 0.0032 0.0364 0.1154
Schistosoma mansoni hypothetical protein 0.0032 0.0353 0.0281
Loa Loa (eye worm) hypothetical protein 0.0069 0.1059 0.173
Brugia malayi mbt repeat family protein 0.0048 0.0652 0.1312
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0096 0.0145
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0114 0.1929 1
Schistosoma mansoni hypothetical protein 0.0032 0.0353 0.0281
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.1199 0.1134
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0652 0.1015
Onchocerca volvulus 0.0031 0.0333 0.0035
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0353 0.0281
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0114 0.1929 1
Loa Loa (eye worm) MBCTL1 0.0054 0.0778 0.1236
Plasmodium vivax importin-beta 2, putative 0.003 0.0308 0.1357
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0778 0.0709
Loa Loa (eye worm) beta-lactamase 0.0079 0.1258 0.2079
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0334 0.0629
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.1654 0.1592
Onchocerca volvulus 0.0079 0.1258 1
Plasmodium vivax hypothetical protein, conserved 0.0079 0.1258 1
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.1929 0.1869
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0334 0.0629
Echinococcus granulosus chromobox protein 1 0.007 0.1084 0.1017
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0334 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0128 0.2196 0.2138
Trichomonas vaginalis chromobox protein, putative 0.007 0.1084 0.215
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0334 1
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.058 0.0888
Schistosoma mansoni hypothetical protein 0.0036 0.0429 0.0358
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2013 0.3403
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0096 0.0145

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 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) 7.9433 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) 8.2753 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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.