Detailed information for compound 1711923

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 457.473 | Formula: C23H25F2N5O3
  • H donors: 3 H acceptors: 4 LogP: 2.95 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](CCn2nnc(c2)c2ccc(cc2)F)CC[C@H]1NC(=O)Nc1ccc(cc1)F
  • InChi: 1S/C23H25F2N5O3/c24-16-3-1-15(2-4-16)21-13-30(29-28-21)12-11-19-9-10-20(22(14-31)33-19)27-23(32)26-18-7-5-17(25)6-8-18/h1-8,13,19-20,22,31H,9-12,14H2,(H2,26,27,32)/t19-,20+,22+/m0/s1
  • InChiKey: JLBHWNUEZALAQX-TUNNFDKTSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461

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
Brugia malayi RNA, U transporter 1 0.0081 0.0377 0.0377
Onchocerca volvulus Chorion peroxidase homolog 0.0712 0.4889 0.9883
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.0019
Echinococcus multilocularis protein jagged 1 0.0037 0.006 0.006
Brugia malayi Calcium binding EGF domain containing protein 0.0037 0.006 0.006
Brugia malayi Animal haem peroxidase family protein 0.0712 0.4889 0.4889
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0172 0.1026 0.5
Schistosoma mansoni notch 0.0037 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0306 0.1981 0.1981
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0172 0.1026 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Brugia malayi notch-like transmembrane receptor 0.0037 0.006 0.006
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0342 0.0342
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0172 0.1026 0.5
Echinococcus multilocularis fat cadherin tumor suppressor 0.0037 0.006 0.006
Echinococcus multilocularis protein jagged 2 0.0037 0.006 0.006
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0172 0.1026 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0342 0.0342
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Brugia malayi Fibronectin type III domain containing protein 0.0031 0.0019 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0342 0.0342
Mycobacterium ulcerans amidase 0.0172 0.1026 0.5
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0172 0.1026 0.5
Echinococcus granulosus notch 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0041 0.0092 0.0092
Echinococcus granulosus neurogenic locus notch protein 4 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Onchocerca volvulus Tyrosine kinase homolog 0.0475 0.3191 0.6408
Onchocerca volvulus Huntingtin homolog 0.0123 0.0677 0.1262
Echinococcus multilocularis peroxidasin 0.073 0.5019 0.5019
Brugia malayi GCC2 and GCC3 family protein 0.0037 0.006 0.006
Echinococcus multilocularis protein jagged 1 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Echinococcus multilocularis fibropellin Ia 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Echinococcus granulosus protein jagged 1 0.0037 0.006 0.006
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0342 0.0342
Onchocerca volvulus Dual oxidase homolog 0.0712 0.4889 0.9883
Mycobacterium ulcerans amidase 0.0172 0.1026 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0342 0.0342
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0172 0.1026 0.1026
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0172 0.1026 0.5
Onchocerca volvulus 0.0712 0.4889 0.9883
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0172 0.1026 0.1026
Schistosoma mansoni vesicular amine transporter 0.0031 0.0019 0.0019
Brugia malayi Peroxidasin 0.073 0.5019 0.5019
Schistosoma mansoni fatty-acid amide hydrolase 0.1427 1 1
Onchocerca volvulus 0.0712 0.4889 0.9883
Trypanosoma cruzi amidase, putative 0.0172 0.1026 0.5
Brugia malayi Animal haem peroxidase family protein 0.072 0.4946 0.4946
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Echinococcus multilocularis neurogenic locus notch protein 0.0037 0.006 0.006
Echinococcus multilocularis neural cadherin 0.0037 0.006 0.006
Loa Loa (eye worm) animal heme peroxidase 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Brugia malayi putative amidase 0.0172 0.1026 0.1026
Echinococcus granulosus tar DNA binding protein 0.0076 0.0342 0.0342
Echinococcus granulosus neurogenic locus notch protein 0.0037 0.006 0.006
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0172 0.1026 1
Echinococcus granulosus peroxidasin 0.073 0.5019 0.5019
Brugia malayi Animal haem peroxidase family protein 0.0712 0.4889 0.4889
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0172 0.1026 0.5
Mycobacterium ulcerans amidase 0.0172 0.1026 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Echinococcus granulosus protein jagged 2 0.0037 0.006 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0019 0.0019
Onchocerca volvulus Peroxidase homolog 0.0712 0.4889 0.9883
Schistosoma mansoni nephrin 0.0039 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.0019
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Echinococcus multilocularis Immunoglobulin 0.0031 0.0019 0.0019
Echinococcus multilocularis snurportin 1 0.0306 0.1981 0.1981
Onchocerca volvulus Peroxidasin homolog 0.072 0.4946 1
Echinococcus granulosus slit 2 protein 0.0037 0.006 0.006
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0342 0.0342
Echinococcus multilocularis slit 2 protein 0.0037 0.006 0.006
Brugia malayi Animal haem peroxidase family protein 0.0712 0.4889 0.4889
Mycobacterium ulcerans amidase 0.0172 0.1026 0.5
Brugia malayi Delta serrate ligand family protein 0.0037 0.006 0.006
Toxoplasma gondii EGF family domain-containing protein 0.0037 0.006 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0123 0.0677 0.0677
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0172 0.1026 0.5
Echinococcus granulosus neural cadherin 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Schistosoma mansoni amidase 0.1427 1 1
Echinococcus granulosus snurportin 1 0.0306 0.1981 0.1981
Loa Loa (eye worm) hypothetical protein 0.0123 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0508 0.3431 0.3431
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Schistosoma mansoni notch 0.0037 0.006 0.006
Echinococcus granulosus fatty acid amide hydrolase 1 0.0172 0.1026 0.1026
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1427 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Brugia malayi Calcium binding EGF domain containing protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0049 0.0149 0.0149
Brugia malayi Immunoglobulin I-set domain containing protein 0.0508 0.3431 0.3431
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Echinococcus multilocularis neuroglian 0.0039 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Brugia malayi Animal haem peroxidase family protein 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Schistosoma mansoni notch 0.0037 0.006 0.006
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1427 1 1
Echinococcus granulosus twitchin 0.0039 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Echinococcus granulosus neuroglian 0.0039 0.0076 0.0076
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Schistosoma mansoni notch 0.0037 0.006 0.006
Echinococcus granulosus protein jagged 2 0.0037 0.006 0.006
Onchocerca volvulus 0.0712 0.4889 0.9883
Brugia malayi hypothetical protein 0.0031 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0041 0.0092 0.0092
Schistosoma mansoni notch 0.0037 0.006 0.006
Echinococcus multilocularis neurogenic locus notch protein 4 0.0037 0.006 0.006
Echinococcus multilocularis roundabout 2 0.0049 0.0149 0.0149
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0031 0.0019 0.0019
Mycobacterium ulcerans peptide amidase, GatA 0.0172 0.1026 0.5
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0172 0.1026 0.5
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0172 0.1026 0.1026
Echinococcus multilocularis neurogenic locus protein delta 0.0037 0.006 0.006
Brugia malayi Cadherin domain containing protein 0.0037 0.006 0.006
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Loa Loa (eye worm) RNA binding protein 0.0076 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) animal heme peroxidase 0.0712 0.4889 0.4889
Giardia lamblia High cysteine protein 0.0037 0.006 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.0019
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0172 0.1026 0.5
Leishmania major hypothetical protein, conserved 0.0172 0.1026 0.5
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Schistosoma mansoni notch 0.0037 0.006 0.006
Schistosoma mansoni cell adhesion molecule 0.0041 0.0092 0.0092
Schistosoma mansoni cell polarity protein 0.0037 0.006 0.006
Echinococcus granulosus fibropellin Ia 0.0037 0.006 0.006
Loa Loa (eye worm) animal heme peroxidase 0.072 0.4946 0.4946
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0037 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0037 0.006 0.006
Brugia malayi hypothetical protein 0.0712 0.4889 0.4889
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) amidase 0.0172 0.1026 0.1026
Schistosoma mansoni septate junction protein 0.0037 0.006 0.006
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0172 0.1026 0.1026
Loa Loa (eye worm) hypothetical protein 0.1427 1 1
Schistosoma mansoni slit 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Brugia malayi hypothetical protein 0.0123 0.0677 0.0677
Brugia malayi TAR-binding protein 0.0076 0.0342 0.0342
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0172 0.1026 0.5
Brugia malayi Amidase family protein 0.0172 0.1026 0.1026
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0031 0.0019 0.0019
Echinococcus granulosus fatty acid amide hydrolase 1 0.1427 1 1
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Brugia malayi Blistered cuticle protein 3 0.0712 0.4889 0.4889
Loa Loa (eye worm) blistered cuticle protein 3 0.0712 0.4889 0.4889
Echinococcus granulosus delta-like protein 1 0.0037 0.006 0.006
Schistosoma mansoni peroxidasin 0.0722 0.4962 0.4962
Onchocerca volvulus Peroxidase homolog 0.0712 0.4889 0.9883
Loa Loa (eye worm) notch protein 0.0037 0.006 0.006
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Echinococcus granulosus roundabout 2 0.0049 0.0149 0.0149
Echinococcus granulosus defective proboscis extension response 0.0031 0.0019 0.0019
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Echinococcus multilocularis neurogenic locus notch protein 0.0037 0.006 0.006
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Brugia malayi Muscle positioning protein 4 0.0037 0.006 0.006
Loa Loa (eye worm) amidase 0.0172 0.1026 0.1026
Brugia malayi Amidase family protein 0.0172 0.1026 0.1026
Mycobacterium ulcerans amidase 0.0172 0.1026 0.5
Trypanosoma cruzi amidase, putative 0.0172 0.1026 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.006 0.006
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0342 0.0342
Onchocerca volvulus Huntingtin homolog 0.0123 0.0677 0.1262
Loa Loa (eye worm) hypothetical protein 0.0049 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Echinococcus granulosus protein jagged 1 0.0037 0.006 0.006
Echinococcus multilocularis neurogenic locus protein delta 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Brugia malayi RNA binding protein 0.0076 0.0342 0.0342
Echinococcus granulosus neurogenic locus protein delta 0.0037 0.006 0.006
Schistosoma mansoni fatty-acid amide hydrolase 0.0172 0.1026 0.1026
Loa Loa (eye worm) Notch2 0.0037 0.006 0.006
Loa Loa (eye worm) animal heme peroxidase 0.0712 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.073 0.5019 0.5019
Echinococcus granulosus neurogenic locus notch protein 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0712 0.4889 0.4889
Brugia malayi EGF-like domain containing protein 0.0037 0.006 0.006
Schistosoma mansoni peroxidasin 0.0712 0.4889 0.4889
Echinococcus multilocularis Immunoglobulin 0.0031 0.0019 0.0019
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0172 0.1026 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0172 0.1026 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.1427 1 1
Echinococcus multilocularis notch 0.0037 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.006 0.006
Echinococcus granulosus Immunoglobulin 0.0031 0.0019 0.0019
Onchocerca volvulus 0.0464 0.3114 0.6249
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.1981 0.1981
Schistosoma mansoni laminin gamma-3 chain 0.0037 0.006 0.006
Brugia malayi Cadherin domain containing protein 0.0037 0.006 0.006
Onchocerca volvulus Peroxidasin homolog 0.072 0.4946 1
Brugia malayi Calcium binding EGF domain containing protein 0.0037 0.006 0.006

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

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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