Detailed information for compound 647329

Basic information

Technical information
  • TDR Targets ID: 647329
  • Name: 3-[5-[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-1, 3-diazinan-5-ylidene]methyl]furan-2-yl]benzoi c acid
  • MW: 416.383 | Formula: C23H16N2O6
  • H donors: 2 H acceptors: 5 LogP: 3.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
  • InChi: 1S/C23H16N2O6/c1-13-5-7-16(8-6-13)25-21(27)18(20(26)24-23(25)30)12-17-9-10-19(31-17)14-3-2-4-15(11-14)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,30)/b18-12-
  • InChiKey: DQEDMBUQJNJGRF-PDGQHHTCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[5-[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid
  • 3-[5-[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]-2-furyl]benzoic acid
  • 3-[5-[(Z)-[2,4,6-triketo-1-(4-methylphenyl)hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid
  • STK176916
  • BAS 00886234

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus zinc finger protein 0.0019 0.0331 0.0521
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.1337 0.194
Echinococcus multilocularis GPCR, family 2 0.0015 0.0196 0.0309
Brugia malayi Probable ATP-dependent helicase DHX35 0.0196 0.6889 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0055 0.1682 0.5
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0196 0.0285
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1418 0.2058
Loa Loa (eye worm) MBCTL1 0.0052 0.1573 0.2283
Loa Loa (eye worm) hypothetical protein 0.0016 0.0241 0.0349
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1267 0.1994
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0437 0.0437
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0196 0.0285
Loa Loa (eye worm) hypothetical protein 0.0037 0.1003 0.1456
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1418 0.2058
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0241 0.0241
Trypanosoma cruzi ISWI complex protein 0.0015 0.0178 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.1337 0.2104
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1418 0.2058
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.6352 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.1573 0.2476
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1766 0.278
Brugia malayi mbt repeat family protein 0.0046 0.1337 0.194
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3992 0.5795
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0196 0.0309
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1766 0.278
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0437 0.0688
Brugia malayi Bromodomain containing protein 0.0037 0.1 0.1452
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.6352 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1267 0.1267
Brugia malayi N-terminal motif family protein 0.0175 0.6102 0.8857
Loa Loa (eye worm) hypothetical protein 0.0196 0.6889 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0437 0.0688
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1267 0.1267
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.1337 0.1337
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.1573 0.2476
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0241 0.0241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1267 0.1994
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0196 0.0309
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0285
Loa Loa (eye worm) hypothetical protein 0.0052 0.1573 0.2283
Loa Loa (eye worm) hypothetical protein 0.0175 0.6102 0.8857
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0055 0.1682 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1267 0.1994
Schistosoma mansoni hypothetical protein 0.0015 0.0196 0.0196
Trypanosoma cruzi ISWI complex protein 0.0015 0.0178 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.1682 0.2648
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0241 0.0379
Schistosoma mansoni hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3992 0.5795
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.1573 0.2476
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0241 0.0379
Brugia malayi mbt repeat family protein 0.0046 0.1337 0.194
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.1337 0.2104
Schistosoma mansoni hypothetical protein 0.002 0.0369 0.0369
Trypanosoma brucei ISWI complex protein 0.0015 0.0178 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.1682 0.2648
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0263 0.0381
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.1544 0.2242
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0055 0.1682 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.1337 0.2104
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0055 0.1682 0.1682
Onchocerca volvulus 0.0046 0.1337 0.219
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0241 0.0379
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1267 0.1839
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0852 0.1237
Loa Loa (eye worm) DEAH box polypeptide 35 0.0196 0.6889 1
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.1337 0.2104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1267 0.1267
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.1337 0.1337
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0055 0.1682 1
Schistosoma mansoni hypothetical protein 0.0033 0.0852 0.0852
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.1682 0.2442
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.1337 0.1337
Brugia malayi MH2 domain containing protein 0.0118 0.3992 0.5795
Schistosoma mansoni hypothetical protein 0.0015 0.0196 0.0196
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0916 0.1442
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1267 0.1994
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.1337 0.219
Schistosoma mansoni hypothetical protein 0.0015 0.0196 0.0196
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0916 0.1442
Loa Loa (eye worm) hypothetical protein 0.0039 0.1088 0.1579
Loa Loa (eye worm) hypothetical protein 0.0068 0.216 0.3135
Loa Loa (eye worm) hypothetical protein 0.0033 0.0852 0.1237
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0241 0.0241
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.6102 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1156 0.1678
Loa Loa (eye worm) hypothetical protein 0.0048 0.1418 0.2058
Schistosoma mansoni hypothetical protein 0.0015 0.0178 0.0178
Brugia malayi Bromodomain containing protein 0.0072 0.2313 0.3357
Echinococcus granulosus GPCR family 2 0.0015 0.0196 0.0309
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0196 0.0309
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0241 0.0379
Schistosoma mansoni zinc finger protein 0.0015 0.0178 0.0178
Schistosoma mansoni bromodomain containing protein 0.0061 0.1894 0.1894
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0196 0.0309
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.1573 0.2476
Echinococcus multilocularis zinc finger protein 0.0019 0.0331 0.0521
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.1573 0.1573
Brugia malayi PHD-finger family protein 0.0024 0.0522 0.0757
Schistosoma mansoni zinc finger protein 0.0019 0.0331 0.0331
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1267 0.1839
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0196 0.0285
Loa Loa (eye worm) hypothetical protein 0.0046 0.1337 0.194
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0369 0.0535
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0241 0.0241
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.1573 0.2283

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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