Detailed information for compound 1146273

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.486 | Formula: C23H28FN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: F[C@H]1CCN(C1)C(=O)[C@H]([C@H](c1ccc(cc1)c1ccc(=O)n(c1)CC1CC1)C)N
  • InChi: 1S/C23H28FN3O2/c1-15(22(25)23(29)26-11-10-20(24)14-26)17-4-6-18(7-5-17)19-8-9-21(28)27(13-19)12-16-2-3-16/h4-9,13,15-16,20,22H,2-3,10-12,14,25H2,1H3/t15-,20-,22-/m0/s1
  • InChiKey: VQTWFYCMQRCBIU-LVWPNOBMSA-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) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.1088 0.108
Brugia malayi hypothetical protein 0.0247 0.2139 0.2139
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0056 0.0163
Brugia malayi Importin beta-1 subunit 0.003 0.0009 0.0009
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.1224 0.1224
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0366 0.0366
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0056 0.0163
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0073 0.0073
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.1158 0.4016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.024 0.024
Brugia malayi beta-lactamase family protein 0.0035 0.0056 0.0056
Schistosoma mansoni bromodomain containing protein 0.0069 0.0386 0.1316
Brugia malayi beta-lactamase 0.0035 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.005 0.0208 0.0695
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0074 0.0228
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.035 0.119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1088 0.377
Toxoplasma gondii ABC1 family protein 0.0035 0.0056 0.282
Loa Loa (eye worm) hypothetical protein 0.0247 0.2139 0.2132
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.1224 0.4245
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.024 0.0231
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0047
Loa Loa (eye worm) hypothetical protein 0.0054 0.024 0.0231
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0056 0.0163
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.024 0.024
Brugia malayi beta-lactamase family protein 0.0035 0.0056 0.0056
Echinococcus multilocularis geminin 0.0183 0.1511 0.5247
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.2139 0.7442
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1088 0.377
Loa Loa (eye worm) acetyltransferase 0.0154 0.1224 0.1216
Echinococcus granulosus snurportin 1 0.0322 0.2871 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0174 1
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.2139 0.7442
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0208 0.0208
Loa Loa (eye worm) DEAH box polypeptide 35 0.1049 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0073 0.0224
Brugia malayi Bromodomain containing protein 0.0081 0.0503 0.0503
Leishmania major hypothetical protein, conserved 0.0035 0.0056 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0174 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0073 0.0064
Loa Loa (eye worm) RNA binding protein 0.0067 0.0366 0.0357
Mycobacterium ulcerans hypothetical protein 0.0035 0.0056 0.5
Echinococcus multilocularis snurportin 1 0.0322 0.2871 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.0366 0.1246
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1088 0.377
Loa Loa (eye worm) beta-lactamase 0.0035 0.0056 0.0047
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0056 0.5
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0366 0.1246
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0366 0.1246
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0047
Schistosoma mansoni hypothetical protein 0.0322 0.2871 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0056 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0174 0.0577
Brugia malayi TAR-binding protein 0.0067 0.0366 0.0366
Brugia malayi RNA binding protein 0.0067 0.0366 0.0366
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0074 0.0228
Mycobacterium ulcerans beta-lactamase 0.0035 0.0056 0.5
Schistosoma mansoni survival motor neuron protein 0.005 0.0208 0.0695
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0047
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0056 1
Brugia malayi RNA, U transporter 1 0.0086 0.0554 0.0554
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0056 0.0047
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0047
Schistosoma mansoni hypothetical protein 0.0183 0.1511 0.5247
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0366 0.1246
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0174 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0424 0.0415
Loa Loa (eye worm) hypothetical protein 0.0039 0.0099 0.009
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0056 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.0056 0.5
Echinococcus granulosus geminin 0.0183 0.1511 0.5247
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0056 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1088 0.377
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0114 1
Schistosoma mansoni hypothetical protein 0.0183 0.1511 0.5247
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0174 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0056 0.282
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0366 0.1246
Loa Loa (eye worm) hypothetical protein 0.0045 0.0159 0.015
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0174 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 0.2871 0.2865
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.1049 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0366 0.1246
Loa Loa (eye worm) hypothetical protein 0.0047 0.0178 0.0169
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.1088 0.1088
Mycobacterium ulcerans lipase LipD 0.0035 0.0056 0.5
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0366 0.0357
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1088 0.377
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1088 0.377
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0366 0.1246
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0056 0.5
Onchocerca volvulus 0.005 0.0208 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0114 0.5
Brugia malayi Bromodomain containing protein 0.0043 0.0135 0.0135
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0366 0.0357
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.1224 0.4245
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0114 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1901 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.035 0.119
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1088 0.377

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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