Detailed information for compound 1751656

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.487 | Formula: C26H25FN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1N(Cc2ccccc2OC)[C@@H]2[C@H]1c1ccccc1N(C2)C(=O)c1ccc(cc1)F
  • InChi: 1S/C26H25FN2O3/c1-32-24-9-5-2-6-18(24)14-28-22-15-29(26(31)17-10-12-19(27)13-11-17)21-8-4-3-7-20(21)25(22)23(28)16-30/h2-13,22-23,25,30H,14-16H2,1H3/t22-,23+,25+/m0/s1
  • InChiKey: HCYBBSSEARPDHB-JBRSBNLGSA-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 0.0109 0.0219 0.0517
Echinococcus multilocularis muscleblind protein 1 0.0148 0.031 0.073
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.4287 1 0.5
Echinococcus multilocularis carbonic anhydrase II 0.1827 0.424 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0158 0.0333 0.0785
Schistosoma mansoni carbonic anhydrase 0.4287 1 1
Schistosoma mansoni carbonic anhydrase-related 0.075 0.1719 0.1661
Echinococcus granulosus carbonic anhydrase II 0.1827 0.424 1
Echinococcus granulosus integrin alpha 3 0.0269 0.0593 0.1398
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1827 0.424 0.42
Echinococcus granulosus adam 0.0023 0.0018 0.0043
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1827 0.424 0.42
Echinococcus granulosus fibrillin 2 0.0023 0.0018 0.0043
Echinococcus multilocularis muscleblind protein 0.0148 0.031 0.073
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.075 0.1719 0.4028
Echinococcus multilocularis adam 0.0023 0.0018 0.0043
Echinococcus granulosus integrin beta 2 0.0532 0.1208 0.285
Giardia lamblia Tenascin-X 0.0023 0.0018 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.075 0.1719 0.4028
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.2433 0.566 1
Echinococcus multilocularis integrin alpha ps 0.0075 0.014 0.0331
Echinococcus multilocularis integrin beta 2 0.0532 0.1208 0.285
Leishmania major carbonic anhydrase family protein, putative 0.4287 1 1
Echinococcus multilocularis fibrillin 1 0.0023 0.0018 0.0043
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.075 0.1719 0.4028
Loa Loa (eye worm) hypothetical protein 0.075 0.1719 0.4054
Plasmodium falciparum carbonic anhydrase 0.075 0.1719 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0018 0.0043
Echinococcus multilocularis integrin alpha ps 0.0157 0.0332 0.0782
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0109 0.0219 0.0517
Loa Loa (eye worm) hypothetical protein 0.0275 0.0608 0.1434
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.0165
Schistosoma mansoni hypothetical protein 0.075 0.1719 0.1661
Loa Loa (eye worm) hypothetical protein 0.0023 0.0018 0.0043
Schistosoma mansoni integrin alpha-ps 0.0082 0.0156 0.0086
Loa Loa (eye worm) hypothetical protein 0.075 0.1719 0.4054
Giardia lamblia Tenascin precursor 0.0023 0.0018 0.5
Trypanosoma brucei carbonic anhydrase-like protein 0.1827 0.424 0.5
Giardia lamblia High cysteine protein 0.0023 0.0018 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.0165
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1827 0.424 1
Loa Loa (eye worm) hypothetical protein 0.075 0.1719 0.4054
Loa Loa (eye worm) hypothetical protein 0.0265 0.0584 0.1378
Loa Loa (eye worm) hypothetical protein 0.0023 0.0018 0.0043
Giardia lamblia Tenascin-like 0.0023 0.0018 0.5
Echinococcus multilocularis carbonic anhydrase 0.075 0.1719 0.4054
Trichomonas vaginalis conserved hypothetical protein 0.1854 0.4304 1
Echinococcus multilocularis integrin alpha 3 0.0269 0.0593 0.1398
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1827 0.424 1
Giardia lamblia Neurogenic locus Notch protein precursor 0.0023 0.0018 0.5
Brugia malayi hypothetical protein 0.0109 0.0219 0.0476
Loa Loa (eye worm) hypothetical protein 0.0193 0.0417 0.0982
Brugia malayi Integrin alpha pat-2 precursor 0.035 0.0784 0.1814
Echinococcus multilocularis carbonic anhydrase 0.075 0.1719 0.4054
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.007 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.1854 0.4304 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.0165
Echinococcus multilocularis integrin alpha ps 0.0157 0.0332 0.0782
Loa Loa (eye worm) integrin beta-2 0.0718 0.1644 0.3877
Giardia lamblia Tenascin-37 0.0023 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.031 0.073
Echinococcus granulosus muscleblind protein 0.0148 0.031 0.073
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1827 0.424 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.031 0.073
Schistosoma mansoni integrin beta subunit 0.0423 0.0953 0.089
Schistosoma mansoni carbonic anhydrase 0.075 0.1719 0.1661
Onchocerca volvulus 0.0144 0.0301 0.9729
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1827 0.424 1
Echinococcus multilocularis carbonic anhydrase 0.075 0.1719 0.4054
Schistosoma mansoni integrin alpha 0.035 0.0784 0.0719
Brugia malayi Muscleblind-like protein 0.0148 0.031 0.069
Echinococcus granulosus carbonic anhydrase 0.075 0.1719 0.4054
Echinococcus granulosus carbonic anhydrase 0.075 0.1719 0.4054
Schistosoma mansoni carbonic anhydrase-related 0.075 0.1719 0.1661
Brugia malayi Integrin beta pat-3 precursor 0.0718 0.1644 0.385
Loa Loa (eye worm) hypothetical protein 0.0075 0.014 0.0331
Schistosoma mansoni carbonic anhydrase-related 0.075 0.1719 0.1661
Echinococcus multilocularis fibrillin 2 0.0023 0.0018 0.0043
Onchocerca volvulus Tyrosine kinase homolog 0.0147 0.0309 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0265 0.0584 0.1341
Toxoplasma gondii hypothetical protein 0.075 0.1719 1
Mycobacterium ulcerans carbonic anhydrase 0.4287 1 1
Schistosoma mansoni integrin alpha-ps 0.0157 0.0332 0.0264
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.0165
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.075 0.1719 0.4054
Echinococcus granulosus integrin alpha ps 0.0075 0.014 0.0331
Brugia malayi Immunoglobulin I-set domain containing protein 0.0158 0.0333 0.0745
Giardia lamblia High cysteine protein 0.0023 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.0156 0.0367
Loa Loa (eye worm) integrin alpha pat-2 0.054 0.1228 0.2897
Loa Loa (eye worm) hypothetical protein 0.0023 0.0018 0.0043
Giardia lamblia Neurogenic locus notch-like protein 0.0023 0.0018 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1827 0.424 0.5
Echinococcus granulosus carbonic anhydrase 0.075 0.1719 0.4054
Brugia malayi Kelch motif family protein 0.0109 0.0219 0.0476
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.075 0.1719 0.4028
Schistosoma mansoni hypothetical protein 0.0075 0.014 0.0071
Echinococcus granulosus integrin alpha ps 0.0157 0.0332 0.0782
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.075 0.1719 0.4028
Echinococcus multilocularis protein jagged 2 0.0023 0.0018 0.0043
Loa Loa (eye worm) carbonic anhydrase 3 0.1827 0.424 1
Giardia lamblia hypothetical protein 0.0023 0.0018 0.5
Echinococcus granulosus fibrillin 1 0.0023 0.0018 0.0043
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.007 0.0165

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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