Detailed information for compound 1056165

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.914 | Formula: C25H24ClNO6
  • H donors: 2 H acceptors: 3 LogP: 5.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N\OCc2ccccc2)\Cc2c(C(=O)O1)c(O)cc(c2Cl)O
  • InChi: 1S/C25H24ClNO6/c1-15-11-22-21(33-22)10-6-5-9-17(27-31-14-16-7-3-2-4-8-16)12-18-23(25(30)32-15)19(28)13-20(29)24(18)26/h2-10,13,15,21-22,28-29H,11-12,14H2,1H3/b9-5+,10-6-,27-17-/t15-,21-,22-/m1/s1
  • InChiKey: SOTKCMFUVJQYGH-QYAGIZTCSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0046 0.0057 0.0961
Echinococcus granulosus microtubule associated protein 2 0.075 0.1743 1
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0182 0.0382 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.007 0.0377
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0129 0.0256 0.0899
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0133 0.0734
Schistosoma mansoni hypothetical protein 0.0172 0.0357 0.2049
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.007 0.0377
Loa Loa (eye worm) hypothetical protein 0.0037 0.0035 0.0587
Loa Loa (eye worm) hypothetical protein 0.0059 0.0088 0.1469
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1146 0.2692 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1146 0.2692 1
Giardia lamblia Telomerase catalytic subunit 0.1146 0.2692 0.5
Leishmania major telomerase reverse transcriptase, putative 0.1146 0.2692 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.007 0.0404
Trypanosoma brucei telomerase reverse transcriptase 0.1146 0.2692 1
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0182 0.0382 1
Plasmodium falciparum telomerase reverse transcriptase 0.1146 0.2692 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0088 0.0476
Schistosoma mansoni DNA polymerase I 0.0053 0.0073 0.0416
Brugia malayi Telomerase reverse transcriptase 0.305 0.7254 1
Brugia malayi DNA polymerase I family protein 0.0053 0.0073 0.0085
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0079 0.0094
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0129 0.0256 0.0899
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0182 0.0382 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0035 0.0201
Loa Loa (eye worm) hypothetical protein 0.0272 0.0597 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.1146 0.2692 1
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0129 0.0256 0.0899
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.007 0.0377
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0072 0.0386
Schistosoma mansoni hypothetical protein 0.0172 0.0357 0.2049
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0088 0.0503
Leishmania major mitochondrial DNA polymerase I protein A, putative 0.0053 0.0073 0.0213
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.007 0.0031
Plasmodium falciparum plastid replication-repair enzyme 0.0053 0.0073 0.0213
Echinococcus multilocularis geminin 0.0172 0.0357 0.2027
Echinococcus multilocularis twinkle protein, mitochondrial 0.0039 0.004 0.0199
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0088 0.0476
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0204 0.0436 0.2478
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0005 0.0029
Schistosoma mansoni bromodomain containing protein 0.0069 0.0111 0.0637
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0053 0.0073 0.0213
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0072 0.0386
Brugia malayi hypothetical protein 0.0078 0.0133 0.0168
Trichomonas vaginalis DNA polymerase I, putative 0.0053 0.0073 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.0597 0.3405
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0088 0.0106
Entamoeba histolytica hypothetical protein 0.0078 0.0133 1
Plasmodium vivax plastid replication-repair enzyme, putative 0.0053 0.0073 0.0213
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.004 0.0201
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.007 0.1181
Onchocerca volvulus 0.0055 0.0079 0.004
Schistosoma mansoni hypothetical protein 0.0078 0.0133 0.076
Brugia malayi Bromodomain containing protein 0.0042 0.0046 0.0048
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.004 0.0201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0072 0.0414
Loa Loa (eye worm) hypothetical protein 0.0053 0.0073 0.1216
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0053 0.0073 0.0213
Loa Loa (eye worm) hypothetical protein 0.0042 0.0046 0.0774
Entamoeba histolytica hypothetical protein 0.0078 0.0133 1
Brugia malayi Bromodomain containing protein 0.0082 0.0142 0.018
Schistosoma mansoni hypothetical protein 0.0315 0.0701 0.4023
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0063 0.0098 0.0308
Onchocerca volvulus 0.0052 0.007 0.0031
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.007 0.0404
Toxoplasma gondii helicase, putative 0.0053 0.0073 0.0213
Entamoeba histolytica hypothetical protein 0.0078 0.0133 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0076 0.009
Schistosoma mansoni survival motor neuron protein 0.0055 0.0079 0.0453
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.007 0.0404
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0072 0.1208
Echinococcus granulosus twinkle protein mitochondrial 0.0039 0.004 0.0199
Mycobacterium ulcerans DNA polymerase I 0.0182 0.0382 1
Brugia malayi hypothetical protein 0.0029 0.0016 0.0006
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0053 0.0073 0.0213
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.007 0.0377
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.0257 0.4309
Schistosoma mansoni microtubule-associated protein tau 0.075 0.1743 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0072 0.0386
Toxoplasma gondii DNA polymerase I domain-containing protein 0.0053 0.0073 0.0213
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0035 0.0033
Echinococcus granulosus geminin 0.0172 0.0357 0.2027
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0076 0.009
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.0257 0.4309
Loa Loa (eye worm) hypothetical protein 0.0077 0.013 0.2185
Loa Loa (eye worm) hypothetical protein 0.0052 0.007 0.1181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0076 0.1275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0072 0.0414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0072 0.0386
Schistosoma mansoni hypothetical protein 0.0039 0.004 0.0227
Entamoeba histolytica hypothetical protein 0.0078 0.0133 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0088 0.0476
Brugia malayi mbt repeat family protein 0.0052 0.007 0.0082
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0133 0.0734
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0088 0.0476
Loa Loa (eye worm) hypothetical protein 0.0044 0.0052 0.0877
Toxoplasma gondii RNA-directed DNA polymerase 0.1146 0.2692 1
Brugia malayi MH2 domain containing protein 0.013 0.0257 0.034
Loa Loa (eye worm) hypothetical protein 0.0054 0.0076 0.1275
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0072 0.0084
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0129 0.0256 0.0899
Loa Loa (eye worm) MBCTL1 0.0059 0.0088 0.1469
Brugia malayi hypothetical protein 0.0272 0.0597 0.0809
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0072 0.0414
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0129 0.0256 0.0899
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0129 0.0256 0.0899
Brugia malayi mbt repeat family protein 0.0052 0.007 0.0082
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.0597 0.3405
Chlamydia trachomatis DNA polymerase I 0.0182 0.0382 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0079 0.0453
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0133 0.076
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0262
Schistosoma mansoni hypothetical protein 0.0039 0.004 0.0227
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0204 0.0436 0.2478
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0102 0.0557
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0102 0.0557
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0053 0.0073 0.0213
Echinococcus multilocularis microtubule associated protein 2 0.075 0.1743 1
Loa Loa (eye worm) twinkle helicase 0.0039 0.004 0.0662
Treponema pallidum DNA polymerase I (polA) 0.0182 0.0382 0.5

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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