Detailed information for compound 1595386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.506 | Formula: C25H27FN4O
  • H donors: 2 H acceptors: 1 LogP: 3.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)cc([nH]2)C(=O)N1C[C@]2(c3c1cccc3)CCN(C2)C1CCCNC1
  • InChi: 1S/C25H27FN4O/c26-18-7-8-21-17(12-18)13-22(28-21)24(31)30-16-25(20-5-1-2-6-23(20)30)9-11-29(15-25)19-4-3-10-27-14-19/h1-2,5-8,12-13,19,27-28H,3-4,9-11,14-16H2/t19?,25-/m0/s1
  • InChiKey: ABNVVKAVWJYHCL-BIAFCPFJSA-N  

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
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0586 0.0689 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0586 0.0689 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0504 0.0591 0.1651
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0504 0.0591 0.1651
Trypanosoma cruzi UDP-galactopyranose mutase 0.0586 0.0689 0.5
Loa Loa (eye worm) carboxylesterase 0.2985 0.3576 1
Brugia malayi hypothetical protein 0.0504 0.0591 0.1636
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Brugia malayi Carboxylesterase family protein 0.0504 0.0591 0.1636
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0586 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0019
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0586 0.0689 0.1927
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0504 0.0591 0.1651
Echinococcus granulosus carboxylesterase 5A 0.2985 0.3576 1
Loa Loa (eye worm) hypothetical protein 0.0586 0.0689 0.1923
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0019 0.0007 0.0015
Loa Loa (eye worm) hypothetical protein 0.0586 0.0689 0.1923
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Echinococcus granulosus para nitrobenzyl esterase 0.0504 0.0591 0.1651
Loa Loa (eye worm) hypothetical protein 0.0586 0.0689 0.1923
Echinococcus granulosus neuroligin 0.0504 0.0591 0.1651
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0504 0.0591 0.1651
Schistosoma mansoni amine oxidase 0.0586 0.0689 0.1927
Echinococcus granulosus acetylcholinesterase 0.2985 0.3576 1
Echinococcus multilocularis neuroligin 0.0504 0.0591 0.1651
Schistosoma mansoni gliotactin 0.0504 0.0591 0.1651
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Schistosoma mansoni neuroligin 3 (S09 family) 0.0504 0.0591 0.1651
Loa Loa (eye worm) hypothetical protein 0.2985 0.3576 1
Plasmodium vivax hypothetical protein, conserved 0.0586 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0019
Mycobacterium ulcerans oxidoreductase 0.0586 0.0689 0.0105
Loa Loa (eye worm) hypothetical protein 0.2985 0.3576 1
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Toxoplasma gondii histone lysine-specific demethylase 0.0586 0.0689 0.5
Loa Loa (eye worm) carboxylesterase 0.0504 0.0591 0.1648
Schistosoma mansoni amine oxidase 0.0586 0.0689 0.1927
Echinococcus multilocularis para nitrobenzyl esterase 0.0504 0.0591 0.1651
Plasmodium vivax hypothetical protein, conserved 0.0586 0.0689 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0586 0.0689 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0586 0.0689 0.1923
Echinococcus multilocularis carboxylesterase 5A 0.2985 0.3576 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0586 0.0689 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0504 0.0591 0.1651
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0001 0.0004
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0586 0.0689 0.0105
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Loa Loa (eye worm) carboxylesterase 0.0504 0.0591 0.1648
Echinococcus multilocularis roundabout 2 0.0024 0.0013 0.0035
Brugia malayi Carboxylesterase family protein 0.2985 0.3576 1
Brugia malayi SWIRM domain containing protein 0.0586 0.0689 0.1911
Trichomonas vaginalis spcc417.12 protein, putative 0.0504 0.0591 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0586 0.0689 0.1911
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0586 0.0689 0.1927
Brugia malayi hypothetical protein 0.002 0.0008 0.0004
Trypanosoma cruzi UDP-galactopyranose mutase 0.0586 0.0689 0.5
Leishmania major UDP-galactopyranose mutase 0.0586 0.0689 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0504 0.0591 0.1651
Echinococcus granulosus BC026374 protein S09 family 0.0504 0.0591 0.1651
Echinococcus multilocularis tyrosine protein kinase shark 0.0267 0.0305 0.0852
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0586 0.0689 0.1927
Schistosoma mansoni tyrosine kinase 0.0267 0.0305 0.0852
Brugia malayi hypothetical protein 0.0586 0.0689 0.1911
Brugia malayi Carboxylesterase family protein 0.2985 0.3576 1
Echinococcus granulosus acetylcholinesterase 0.2985 0.3576 1
Schistosoma mansoni cell adhesion molecule 0.0024 0.0013 0.0035
Echinococcus granulosus tyrosine protein kinase shark 0.0267 0.0305 0.0852
Echinococcus multilocularis acetylcholinesterase 0.2985 0.3576 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0504 0.0591 0.5
Schistosoma mansoni nephrin 0.002 0.0008 0.0023
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.8324 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2985 0.3576 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0019
Brugia malayi Fibronectin type III domain containing protein 0.002 0.0008 0.0004
Brugia malayi Carboxylesterase family protein 0.0504 0.0591 0.1636
Echinococcus granulosus lysine specific histone demethylase 1A 0.0586 0.0689 0.1927
Echinococcus multilocularis protoporphyrinogen oxidase 0.0586 0.0689 0.1927
Schistosoma mansoni acetylcholinesterase 0.0504 0.0591 0.1651
Plasmodium falciparum protoporphyrinogen oxidase 0.0586 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0586 0.0689 0.1923
Loa Loa (eye worm) acetylcholinesterase 1 0.2985 0.3576 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0586 0.0689 0.5
Schistosoma mansoni tyrosine kinase 0.0261 0.0297 0.0832
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.7738 0.9295 1
Brugia malayi Carboxylesterase family protein 0.0504 0.0591 0.1636
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Echinococcus multilocularis 0.0586 0.0689 0.1927
Echinococcus granulosus roundabout 2 0.0024 0.0013 0.0035
Mycobacterium ulcerans monoamine oxidase 0.0586 0.0689 0.0105
Onchocerca volvulus 0.0586 0.0689 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0586 0.0689 0.0113
Mycobacterium ulcerans dehydrogenase 0.0586 0.0689 0.0105
Loa Loa (eye worm) hypothetical protein 0.0586 0.0689 0.1923
Mycobacterium tuberculosis Possible oxidoreductase 0.0586 0.0689 0.0113
Echinococcus multilocularis acetylcholinesterase 0.2985 0.3576 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0586 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0504 0.0591 0.1648
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0504 0.0591 0.1651
Brugia malayi Carboxylesterase family protein 0.0504 0.0591 0.1636
Echinococcus granulosus lysine specific histone demethylase 1A 0.0586 0.0689 0.1927

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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