Detailed information for compound 1759038

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.587 | Formula: C28H34FN3O2
  • H donors: 2 H acceptors: 2 LogP: 4.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1N2CCCCN(C[C@H]2[C@H]1c1ccc(cc1)C1=CCCCC1)C(=O)Nc1ccc(cc1)F
  • InChi: 1S/C28H34FN3O2/c29-23-12-14-24(15-13-23)30-28(34)31-16-4-5-17-32-25(18-31)27(26(32)19-33)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h6,8-15,25-27,33H,1-5,7,16-19H2,(H,30,34)/t25-,26-,27+/m0/s1
  • InChiKey: BSPJKWMLPHCKFH-GMQQYTKMSA-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
Leishmania major hypothetical protein, conserved 0.0027 0.005 0.0158
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0027 0.005 0.0158
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.004 0.0151 0.058
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0027 0.005 0.0192
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0366 0.2606 1
Treponema pallidum catabolite gene activator (Crp) 0.0027 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0.1284 0.2453
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0027 0.005 0.0192
Brugia malayi Cyclic-nucleotide gated cation channel 0.004 0.0151 0.0201
Brugia malayi SWIRM domain containing protein 0.0384 0.2746 0.5357
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0059 0.0292 0.1122
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.005 0.0192
Schistosoma mansoni voltage-gated potassium channel 0.0222 0.1525 0.5855
Echinococcus granulosus cGMP dependent protein kinase 1 0.0027 0.005 0.0192
Leishmania major regulatory subunit of protein kinase a-like protein 0.0027 0.005 0.0158
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0027 0.005 0.0192
Loa Loa (eye worm) hypothetical protein 0.0027 0.005 0.0095
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.004 0.0151 0.058
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.019 0.1284 1
Schistosoma mansoni hypothetical protein 0.0024 0.003 0.0116
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0027 0.005 0.0192
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.019 0.1284 1
Brugia malayi hypothetical protein 0.019 0.1284 0.2453
Mycobacterium tuberculosis Conserved hypothetical protein 0.019 0.1284 0.145
Schistosoma mansoni amine oxidase 0.019 0.1284 0.4929
Loa Loa (eye worm) hypothetical protein 0.0478 0.3451 0.6592
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0027 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.005 0.0095
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0027 0.005 0.0192
Mycobacterium ulcerans protoporphyrinogen oxidase 0.019 0.1284 0.1241
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.005 0.0192
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0027 0.005 0.0158
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.004 0.0151 0.058
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0027 0.005 0.0192
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0027 0.005 0.0192
Schistosoma mansoni Microrchidia 2a 0.0024 0.003 0.0116
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0204 0.1384 0.2644
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0027 0.005 0.0192
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0027 0.005 0.0158
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0027 0.005 0.0192
Plasmodium falciparum protoporphyrinogen oxidase 0.019 0.1284 1
Onchocerca volvulus 0.0384 0.2746 0.5199
Loa Loa (eye worm) hypothetical protein 0.052 0.3775 0.721
Echinococcus granulosus cGMP dependent protein kinase 1 0.0027 0.005 0.0192
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0027 0.005 0.0192
Brugia malayi Myb-like DNA-binding domain containing protein 0.0694 0.5083 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.004 0.0151 0.058
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0027 0.005 0.0158
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0027 0.005 0.0158
Schistosoma mansoni amine oxidase 0.019 0.1284 0.4929
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0027 0.005 0.0192
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.004 0.0151 0.0289
Brugia malayi amine oxidase, flavin-containing family protein 0.0496 0.3592 0.7037
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0027 0.005 0.0192
Plasmodium vivax hypothetical protein, conserved 0.019 0.1284 1
Trypanosoma cruzi cAMP response protein 1, putative 0.0027 0.005 0.0158
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0027 0.005 0.0192
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0204 0.1384 0.5313
Toxoplasma gondii histone lysine-specific demethylase 0.019 0.1284 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.004 0.0151 0.058
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.019 0.1284 1
Echinococcus granulosus patatin phospholipase domain containing protein 0.0027 0.005 0.0192
Leishmania major hypothetical protein, unknown function 0.0027 0.005 0.0158
Trypanosoma cruzi Flagellar Member 6 0.0027 0.005 0.0158
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0027 0.005 0.0192
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0027 0.005 1
Trypanosoma brucei cAMP response protein 1, putative 0.0027 0.005 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.004 0.0151 0.058
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1345 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0089 0.0343
Echinococcus granulosus hyperpolarization activated cyclic 0.004 0.0151 0.058
Trypanosoma cruzi UDP-galactopyranose mutase 0.019 0.1284 1
Leishmania major protein kinase, putative 0.0027 0.005 0.0158
Echinococcus granulosus hyperpolarization activated cyclic 0.004 0.0151 0.058
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0204 0.1384 0.2651
Schistosoma mansoni hypothetical protein 0.0027 0.005 0.0192
Schistosoma mansoni hypothetical protein 0.0024 0.003 0.0116
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0204 0.1384 0.5313
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0027 0.005 0.0158
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.004 0.0151 0.058
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0151 0.082
Leishmania major cyclic nucleotide-binding protein-like protein 0.0027 0.005 0.0158
Echinococcus multilocularis MORC family CW type zinc finger protein 2B 0.0024 0.003 0.0116
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0027 0.005 0.0095
Loa Loa (eye worm) hypothetical protein 0.0694 0.5083 0.9708
Leishmania major UDP-galactopyranose mutase 0.019 0.1284 1
Leishmania major hypothetical protein, conserved 0.0027 0.005 0.0158
Trypanosoma cruzi cAMP response protein 1 0.0027 0.005 0.0158
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0027 0.005 0.0192
Echinococcus granulosus voltage gated potassium channel 0.0059 0.0292 0.1122
Trypanosoma cruzi UDP-galactopyranose mutase 0.019 0.1284 1
Echinococcus multilocularis expressed conserved protein 0.0027 0.005 0.0192
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0027 0.005 0.0158
Echinococcus granulosus cGMP dependent protein kinase 0.0027 0.005 0.0192
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0027 0.005 0.0192
Chlamydia trachomatis protoporphyrinogen oxidase 0.019 0.1284 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0027 0.005 0.0192
Loa Loa (eye worm) hypothetical protein 0.0714 0.5236 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0292 0.0558
Plasmodium falciparum cGMP-dependent protein kinase 0.0027 0.005 0.0158
Trypanosoma brucei protein kinase A regulatory subunit 0.0027 0.005 1
Trypanosoma brucei Flagellar Member 6 0.0027 0.005 1
Schistosoma mansoni hypothetical protein 0.0024 0.003 0.0116
Echinococcus multilocularis 0.019 0.1284 0.4929
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.019 0.1284 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.019 0.1283 1
Mycobacterium tuberculosis Possible oxidoreductase 0.019 0.1284 0.145
Echinococcus multilocularis hyperpolarization activated cyclic 0.004 0.0151 0.058
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0027 0.005 0.0192
Echinococcus granulosus cyclic nucleotide gated cation channel 0.004 0.0151 0.058
Mycobacterium ulcerans monoamine oxidase 0.019 0.1284 0.1241
Plasmodium vivax hypothetical protein, conserved 0.019 0.1284 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.019 0.1283 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.019 0.1284 0.4929
Mycobacterium ulcerans dehydrogenase 0.019 0.1284 0.1241
Onchocerca volvulus CoRest homolog 0.0714 0.5236 1
Loa Loa (eye worm) hypothetical protein 0.0366 0.2606 0.4976
Leishmania major hypothetical protein, conserved 0.0027 0.005 0.0158
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0289
Echinococcus granulosus MORC family CW type zinc finger protein 2B 0.0024 0.003 0.0116
Echinococcus granulosus cyclic nucleotide gated cation channel 0.004 0.0151 0.058
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0027 0.005 0.0192
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.004 0.0151 0.058
Treponema pallidum catabolite gene activator 0.0027 0.005 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0151 0.082
Loa Loa (eye worm) hypothetical protein 0.0177 0.1181 0.2256
Echinococcus granulosus lysine specific histone demethylase 1A 0.019 0.1284 0.4929
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0027 0.005 0.0158
Loa Loa (eye worm) hypothetical protein 0.0384 0.2746 0.5244
Loa Loa (eye worm) AGC/PKG protein kinase 0.0027 0.005 0.0095
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0027 0.005 0.0192
Plasmodium vivax protoporphyrinogen oxidase, putative 0.019 0.1284 1
Treponema pallidum cyclic nucleotide binding protein 0.0027 0.005 0.5
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.004 0.0151 0.058
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0027 0.005 0.0192
Schistosoma mansoni voltage-gated potassium channel 0.0059 0.0292 0.1122
Mycobacterium ulcerans oxidoreductase 0.019 0.1284 0.1241
Treponema pallidum cyclic nucleotide binding protein 0.0027 0.005 0.5
Trypanosoma cruzi cAMP binding protein, putative 0.0027 0.005 0.0158
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0027 0.005 0.0192
Echinococcus granulosus lysine specific histone demethylase 1A 0.0366 0.2606 1
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0027 0.005 0.0158
Loa Loa (eye worm) hypothetical protein 0.0366 0.2606 0.4976
Schistosoma mansoni voltage-gated potassium channel 0.0222 0.1525 0.5855
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0027 0.005 0.0192
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.005 0.0158
Echinococcus multilocularis protoporphyrinogen oxidase 0.019 0.1284 0.4929
Schistosoma mansoni microrchidia 2a 0.0024 0.003 0.0116
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0027 0.005 0.0158
Echinococcus multilocularis voltage gated potassium channel 0.0059 0.0292 0.1122
Schistosoma mansoni 60S ribosomal protein L21 0.0032 0.0089 0.0343
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0027 0.005 0.0158
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0059 0.0292 0.0482
Trypanosoma brucei cAMP binding protein, putative 0.0027 0.005 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.004 0.0151 0.058
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1155 0.8563 1
Leishmania major protein kinase, putative 0.0027 0.005 0.0158
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0059 0.0292 0.1122
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.005 0.0192
Leishmania major protein kinase A regulatory subunit, putative 0.0027 0.005 0.0158
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0027 0.005 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.019 0.1284 1
Trypanosoma cruzi protein kinase A regulatory subunit 0.0027 0.005 0.0158
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0027 0.005 0.0192
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0151 0.058
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.004 0.0151 0.058
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.004 0.0151 0.0289
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0366 0.2606 1
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0027 0.005 0.0158
Schistosoma mansoni voltage-gated potassium channel 0.0059 0.0292 0.1122

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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