Detailed information for compound 768201

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.922 | Formula: C25H24ClFN2O2
  • H donors: 2 H acceptors: 2 LogP: 4.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)C1=C(C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl
  • InChi: 1S/C25H24ClFN2O2/c1-14-21(24(31)29-18-10-8-17(27)9-11-18)22(15-4-6-16(26)7-5-15)23-19(28-14)12-25(2,3)13-20(23)30/h4-11,22,30H,12-13H2,1-3H3,(H,29,31)
  • InChiKey: VIFJDWMLQDPXJK-UHFFFAOYSA-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) bromodomain containing protein 0.0018 0.0532 0.0572
Schistosoma mansoni lamin 0.0027 0.2068 0.2432
Schistosoma mansoni zinc finger protein 0.002 0.0847 0.0891
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.043 0.0366
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.5168 0.6727
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.1022 0.1099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.043 0.0366
Brugia malayi Bromodomain containing protein 0.0039 0.3939 0.3939
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.2068 0.2068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.5168 0.6345
Loa Loa (eye worm) hypothetical protein 0.0017 0.043 0.0463
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.1337 0.151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.5168 0.6727
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.3548 0.4427
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.5168 0.5168
Schistosoma mansoni bromodomain containing protein 0.0064 0.8065 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.7474 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1986 0.2137
Loa Loa (eye worm) intermediate filament protein 0.0027 0.2068 0.2225
Echinococcus multilocularis lamin 0.0027 0.2068 0.2325
Brugia malayi PHD-finger family protein 0.0025 0.1728 0.1728
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.7474 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.4342 0.4672
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.5168 0.6345
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.1337 0.1287
Echinococcus multilocularis lamin dm0 0.0027 0.2068 0.2325
Schistosoma mansoni intermediate filament proteins 0.0027 0.2068 0.2432
Trypanosoma cruzi ISWI complex protein 0.0016 0.0141 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.043 0.0366
Echinococcus granulosus lamin dm0 0.0027 0.2068 0.2325
Echinococcus granulosus intermediate filament protein 0.0027 0.2068 0.2325
Loa Loa (eye worm) hypothetical protein 0.0039 0.3951 0.4251
Echinococcus multilocularis zinc finger protein 0.002 0.0847 0.0592
Echinococcus multilocularis musashi 0.0027 0.2068 0.2325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.5168 0.6345
Echinococcus granulosus lamin 0.0027 0.2068 0.2325
Loa Loa (eye worm) hypothetical protein 0.0043 0.4657 0.5011
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.3548 0.4427
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.043 0.0366
Onchocerca volvulus 0.0027 0.2068 0.5
Leishmania major hypothetical protein, conserved 0.0016 0.0141 0.5
Onchocerca volvulus 0.0027 0.2068 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.1337 0.1287
Trypanosoma cruzi ISWI complex protein 0.0016 0.0141 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.5168 0.6727
Loa Loa (eye worm) hypothetical protein 0.0072 0.9294 1
Brugia malayi intermediate filament protein 0.0027 0.2068 0.2068
Schistosoma mansoni lamin 0.0027 0.2068 0.2432
Trypanosoma brucei ISWI complex protein 0.0016 0.0141 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.2068 0.2225
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.5168 0.5561
Schistosoma mansoni hypothetical protein 0.0021 0.1022 0.1112
Echinococcus granulosus zinc finger protein 0.002 0.0847 0.0592
Loa Loa (eye worm) hypothetical protein 0.0027 0.2068 0.2225
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.5168 0.6727

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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