Detailed information for compound 1315524

Basic information

Technical information
  • TDR Targets ID: 1315524
  • Name: 3-(3-butyl-2-methylquinolin-4-yl)sulfanylprop anoic acid
  • MW: 303.419 | Formula: C17H21NO2S
  • H donors: 1 H acceptors: 3 LogP: 4.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1c(C)nc2c(c1SCCC(=O)O)cccc2
  • InChi: 1S/C17H21NO2S/c1-3-4-7-13-12(2)18-15-9-6-5-8-14(15)17(13)21-11-10-16(19)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,19,20)
  • InChiKey: JQBZUYFFOMONBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3-butyl-2-methyl-4-quinolyl)sulfanyl]propanoic acid
  • 3-[(3-butyl-2-methyl-4-quinolyl)thio]propanoic acid
  • 3-[(3-butyl-2-methyl-4-quinolyl)thio]propionic acid
  • 3-(3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanoic acid
  • 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionic acid
  • BAS 02839821
  • Oprea1_537414
  • UNM000000609501
  • A2743/0116532
  • MLS000703659
  • Oprea1_004840
  • SMR000274024
  • 3-(3-butyl-2-methylquinolin-1-ium-4-yl)sulfanylpropanoate
  • 3-(3-butyl-2-methyl-quinolin-1-ium-4-yl)sulfanylpropanoate
  • 3-[(3-butyl-2-methyl-4-quinolin-1-iumyl)thio]propanoate
  • 3-[(3-butyl-2-methyl-quinolin-1-ium-4-yl)thio]propionate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0133 0.1536 0.3438
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0592 0.0592
Brugia malayi Sex muscle abnormal protein 5 0.0008 0.0014 0.0032
Echinococcus multilocularis tyrosine protein kinase HCK 0.0032 0.0311 0.0311
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0049 0.0049
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0049 0.0049
Echinococcus multilocularis growth factor receptor bound protein 2 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0133 0.1536 0.3438
Schistosoma mansoni adapter molecule crk 0.0008 0.0014 0.0032
Schistosoma mansoni RNA binding protein 0.0133 0.1536 0.3438
Trypanosoma cruzi WLM domain containing protein, putative 0.0133 0.1536 1
Echinococcus granulosus ring and YY1 binding protein 0.0133 0.1536 0.1536
Schistosoma mansoni hypothetical protein 0.0373 0.4467 1
Schistosoma mansoni hypothetical protein 0.0373 0.4467 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.004 0.0408 0.0408
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0205 0.2415 0.5406
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0049 0.011
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0133 0.1536 0.1536
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0049 0.011
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0408 0.0408
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0373 0.4467 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0408 0.0408
Onchocerca volvulus 0.0133 0.1536 0.3438
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0014 0.0032
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0373 0.4467 1
Echinococcus granulosus SWI:SNF matrix associated 0.0373 0.4467 0.4467
Echinococcus multilocularis ring and YY1 binding protein 0.0133 0.1536 0.1536
Loa Loa (eye worm) SRC-1 0.004 0.0408 0.0913
Loa Loa (eye worm) TK protein kinase 0.0036 0.036 0.0806
Schistosoma mansoni zinc finger protein 0.0133 0.1536 0.3438
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Echinococcus granulosus tumor protein p63 0.0726 0.878 0.878
Brugia malayi brahma associated protein 60 kDa 0.0373 0.4467 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0133 0.1536 0.3438
Schistosoma mansoni nck2/grb4 0.0008 0.0014 0.0032
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0049 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0373 0.4467 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0032
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0133 0.1536 0.1536
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0014 0.0032
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0009 0.0028 0.0028
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0049 0.011
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0049 0.0049
Onchocerca volvulus 0.0133 0.1536 0.3438
Echinococcus granulosus zinc finger protein Ran binding 0.0133 0.1536 0.1536
Leishmania major hypothetical protein, conserved 0.0133 0.1536 1
Schistosoma mansoni hypothetical protein 0.0147 0.1715 0.3839
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0049 0.011
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0049 0.011
Brugia malayi steroid hormone receptor 0.0011 0.0049 0.011
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0133 0.1536 1
Chlamydia trachomatis DNA topoisomerase I 0.0373 0.4467 0.5
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0014 0.0032
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0147 0.1715 0.3839
Onchocerca volvulus Huntingtin homolog 0.0148 0.1723 0.3858
Loa Loa (eye worm) apoptosis regulator protein 0.0147 0.1715 0.3839
Loa Loa (eye worm) hypothetical protein 0.0148 0.1723 0.3858
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.1536 1
Echinococcus granulosus geminin 0.0205 0.2415 0.2415
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0049 0.011
Leishmania major hypothetical protein, conserved 0.0133 0.1536 1
Echinococcus multilocularis NCK adaptor protein 0.0008 0.0014 0.0014
Echinococcus granulosus c src tyrosine kinase 0.0009 0.0028 0.0028
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0133 0.1536 0.3438
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0008 0.0014 0.0032
Schistosoma mansoni hypothetical protein 0.0373 0.4467 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0009 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Brugia malayi protein-tyrosine kinase 0.0036 0.036 0.0806
Trypanosoma cruzi WLM domain containing protein, putative 0.0133 0.1536 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0049 0.011
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0049 0.011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0049 0.011
Schistosoma mansoni apoptosis regulator bax 0.0147 0.1715 0.3839
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0049 0.011
Echinococcus granulosus tyrosine protein kinase Src64B 0.004 0.0408 0.0408
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0008 0.0014 0.0032
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0049 0.011
Onchocerca volvulus 0.0011 0.0049 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.1536 1
Schistosoma mansoni hypothetical protein 0.0133 0.1536 0.3438
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0408 0.0408
Echinococcus granulosus NCK adaptor protein 0.0008 0.0014 0.0014
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.004 0.0408 0.0408
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0049 0.011
Loa Loa (eye worm) TK protein kinase 0.0032 0.0311 0.0696
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0133 0.1536 0.3438
Leishmania major hypothetical protein, conserved 0.0133 0.1536 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0592 0.1325
Schistosoma mansoni fusion 0.0133 0.1536 0.3438
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Schistosoma mansoni tyrosine kinase 0.004 0.0408 0.0913
Echinococcus multilocularis tumor protein p63 0.0726 0.878 0.878
Plasmodium vivax hypothetical protein, conserved 0.0373 0.4467 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.036 0.036
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0049 0.011
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0133 0.1536 1
Echinococcus multilocularis c src tyrosine kinase 0.0009 0.0028 0.0028
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0408 0.0408
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0049 0.011
Loa Loa (eye worm) hypothetical protein 0.0148 0.1723 0.3858
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Schistosoma mansoni tyrosine kinase 0.004 0.0408 0.0913
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0373 0.4467 0.4467
Brugia malayi nuclear receptor NHR-88 0.0011 0.0049 0.011
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0147 0.1715 0.1715
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Onchocerca volvulus 0.0106 0.1215 0.2719
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0049 0.0049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0592 0.1325
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.1536 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0049 0.011
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.004 0.0408 0.0408
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0049 0.011
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0373 0.4467 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0036 0.036 0.036
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0049 0.011
Brugia malayi ecdysteroid receptor 0.0011 0.0049 0.011
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0008 0.0014 0.0032
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0049 0.0049
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0133 0.1536 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0049 0.011
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0373 0.4467 0.4467
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0049 0.0049
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0049 0.011
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0009 0.0028 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0049 0.011
Echinococcus granulosus growth factor receptor bound protein 2 0.0008 0.0014 0.0014
Brugia malayi YY1-associated factor 2 0.0133 0.1536 0.3438
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0133 0.1536 0.3438
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0049 0.011
Chlamydia trachomatis SWIB complex protein 0.0373 0.4467 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0373 0.4467 0.4467
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.0346 0.0346
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0049 0.011
Echinococcus multilocularis tyrosine protein kinase Srms 0.0036 0.036 0.036
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0049 0.0049
Echinococcus multilocularis SWI:SNF matrix associated 0.0373 0.4467 0.4467
Echinococcus granulosus tyrosine kinase 0.0036 0.036 0.036
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0049 0.011
Schistosoma mansoni hypothetical protein 0.0147 0.1715 0.3839
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0049 0.0049
Brugia malayi SWIB/MDM2 domain containing protein 0.0373 0.4467 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0049 0.011
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0133 0.1536 0.1536
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.004 0.0408 0.0408
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0133 0.1536 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0592 0.1325
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0049 0.0049
Toxoplasma gondii ran binding protein 0.0133 0.1536 0.3438
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0373 0.4467 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0049 0.011
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0133 0.1536 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0049 0.011
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0373 0.4467 1
Brugia malayi brahma associated protein 60 kDa 0.0373 0.4467 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.004 0.0408 0.0408
Trypanosoma brucei hypothetical protein, conserved 0.0133 0.1536 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0049 0.011
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0147 0.1715 0.1715
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0049 0.0049
Echinococcus multilocularis tyrosine protein kinase Abl 0.0009 0.0028 0.0028
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0049 0.011
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0133 0.1536 0.3438
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0049 0.011
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0133 0.1536 1
Brugia malayi SRC-1 0.004 0.0408 0.0913
Loa Loa (eye worm) hypothetical protein 0.0133 0.1536 0.3438
Brugia malayi Tyrosine-protein kinase abl-1 0.0009 0.0028 0.0063
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.0346 0.0346
Schistosoma mansoni cellular tumor antigen P53 0.0106 0.1215 0.2719
Schistosoma mansoni hypothetical protein 0.0205 0.2415 0.5406
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0408 0.0408
Loa Loa (eye worm) brahma associated protein 0.0373 0.4467 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0049 0.011
Loa Loa (eye worm) hypothetical protein 0.0133 0.1536 0.3438
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0592 0.1325
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0049 0.0049
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0049 0.011
Onchocerca volvulus Huntingtin homolog 0.0148 0.1723 0.3858
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0049 0.011
Schistosoma mansoni tyrosine kinase 0.0009 0.0028 0.0063
Trypanosoma brucei hypothetical protein, conserved 0.0133 0.1536 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0408 0.0408
Leishmania major hypothetical protein, conserved 0.0133 0.1536 1
Echinococcus multilocularis geminin 0.0205 0.2415 0.2415
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0049 0.0049
Onchocerca volvulus 0.0133 0.1536 0.3438
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0592 0.0592
Echinococcus multilocularis tyrosine protein kinase Blk 0.0036 0.036 0.036
Brugia malayi nuclear hormone receptor 0.0011 0.0049 0.011
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0049 0.011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0592 0.0592
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0592 0.1325
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0133 0.1536 0.3438
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0049 0.011
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.004 0.0408 0.0408
Onchocerca volvulus 0.0133 0.1536 0.3438
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0133 0.1536 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.1536 0.3438
Schistosoma mansoni TRABID protein (C64 family) 0.0133 0.1536 0.3438
Schistosoma mansoni tyrosine kinase 0.0009 0.0028 0.0063
Brugia malayi hypothetical protein 0.0148 0.1723 0.3858
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0049 0.011
Entamoeba histolytica protein kinase, putative 0.0032 0.0311 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0408 0.0408
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0049 0.011
Loa Loa (eye worm) hypothetical protein 0.0147 0.1715 0.3839
Echinococcus granulosus tyrosine protein kinase HCK 0.0032 0.0311 0.0311
Echinococcus granulosus tyrosine protein kinase Blk 0.0036 0.036 0.036
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0049 0.011
Loa Loa (eye worm) hypothetical protein 0.0106 0.1215 0.2719
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0147 0.1715 0.3839
Echinococcus granulosus tyrosine protein kinase Lyn 0.004 0.0408 0.0408
Echinococcus multilocularis tyrosine protein kinase Src64B 0.004 0.0408 0.0408
Echinococcus granulosus Zinc finger RanBP2 type 0.0133 0.1536 0.1536
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0373 0.4467 1
Leishmania major hypothetical protein, conserved 0.0133 0.1536 1
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0014 0.0032
Echinococcus multilocularis SWI:SNF matrix associated 0.0373 0.4467 0.4467
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0592 0.0592
Schistosoma mansoni coup transcription factor 0.0011 0.0049 0.011
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0049 0.011
Onchocerca volvulus 0.0373 0.4467 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0133 0.1536 0.3438
Loa Loa (eye worm) hypothetical protein 0.0011 0.0049 0.011
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0049 0.0049
Echinococcus multilocularis zinc finger protein Ran binding 0.0133 0.1536 0.1536
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0049 0.011
Schistosoma mansoni hypothetical protein 0.0147 0.1715 0.3839
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0049 0.0049
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0408 0.0408
Schistosoma mansoni brg-1 associated factor 0.0373 0.4467 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 9.285 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: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.9349 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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