Detailed information for compound 1538240

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.276 | Formula: C18H21BrN2O
  • H donors: 0 H acceptors: 1 LogP: 6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2nc(c(n2c(c1Br)C)CC(C)(C)C)c1ccco1
  • InChi: 1S/C18H21BrN2O/c1-11-9-15-20-17(14-7-6-8-22-14)13(10-18(3,4)5)21(15)12(2)16(11)19/h6-9H,10H2,1-5H3
  • InChiKey: ZZNDYRWNAKNEKT-UHFFFAOYSA-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 glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei hypothetical protein, conserved 0.0151 0.1821 1
Schistosoma mansoni brg-1 associated factor 0.0424 0.5596 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0424 0.5596 0.5596
Schistosoma mansoni TRABID protein (C64 family) 0.0151 0.1821 0.3254
Brugia malayi brahma associated protein 60 kDa 0.0424 0.5596 1
Brugia malayi Cytochrome P450 family protein 0.0052 0.0456 0.0814
Schistosoma mansoni fusion 0.0151 0.1821 0.3254
Brugia malayi SWIB/MDM2 domain containing protein 0.0424 0.5596 1
Chlamydia trachomatis DNA topoisomerase I 0.0424 0.5596 0.5
Onchocerca volvulus 0.0151 0.1821 0.1336
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0306 0.0546
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0052 0.0456 0.5
Loa Loa (eye worm) CYP4Cod1 0.0052 0.0456 0.0814
Loa Loa (eye worm) brahma associated protein 0.0424 0.5596 1
Echinococcus multilocularis tumor protein p63 0.0742 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1239 0.2214
Loa Loa (eye worm) hypothetical protein 0.0151 0.1821 0.3254
Chlamydia trachomatis SWIB complex protein 0.0424 0.5596 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0151 0.1821 0.3254
Leishmania major hypothetical protein, conserved 0.0151 0.1821 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0456 0.0814
Echinococcus multilocularis zinc finger protein Ran binding 0.0151 0.1821 0.1821
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1731 0.3093
Trypanosoma cruzi WLM domain containing protein, putative 0.0151 0.1821 1
Trypanosoma brucei hypothetical protein, conserved 0.0151 0.1821 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1821 0.3254
Loa Loa (eye worm) hypothetical protein 0.0151 0.1821 0.3254
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0569 0.1017
Schistosoma mansoni RNA binding protein 0.0151 0.1821 0.3254
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0151 0.1821 0.1821
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.1821 1
Echinococcus granulosus ring and YY1 binding protein 0.0151 0.1821 0.1821
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0151 0.1821 0.1821
Brugia malayi Cytochrome P450 family protein 0.0052 0.0456 0.0814
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0151 0.1821 1
Leishmania major hypothetical protein, conserved 0.0151 0.1821 1
Leishmania major hypothetical protein, conserved 0.0151 0.1821 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0151 0.1821 1
Onchocerca volvulus 0.0151 0.1821 0.1336
Loa Loa (eye worm) hypothetical protein 0.0151 0.1821 0.3254
Loa Loa (eye worm) hypothetical protein 0.006 0.0569 0.1017
Echinococcus multilocularis SWI:SNF matrix associated 0.0424 0.5596 0.5596
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0456 0.0814
Schistosoma mansoni hypothetical protein 0.0424 0.5596 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0151 0.1821 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0151 0.1821 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0569 0.1017
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0151 0.1821 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0151 0.1821 1
Onchocerca volvulus 0.0151 0.1821 0.1336
Echinococcus granulosus SWI:SNF matrix associated 0.0424 0.5596 0.5596
Echinococcus granulosus zinc finger protein Ran binding 0.0151 0.1821 0.1821
Trichomonas vaginalis conserved hypothetical protein 0.0424 0.5596 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0151 0.1821 1
Leishmania major hypothetical protein, conserved 0.0151 0.1821 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0424 0.5596 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0151 0.1821 0.1821
Schistosoma mansoni hypothetical protein 0.0041 0.0306 0.0546
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0151 0.1821 0.3254
Leishmania major hypothetical protein, conserved 0.0151 0.1821 1
Brugia malayi YY1-associated factor 2 0.0151 0.1821 0.3254
Echinococcus multilocularis SWI:SNF matrix associated 0.0424 0.5596 0.5596
Schistosoma mansoni hypothetical protein 0.0424 0.5596 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0306 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0445
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0424 0.5596 1
Onchocerca volvulus 0.0424 0.5596 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0424 0.5596 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0151 0.1821 0.3254
Brugia malayi brahma associated protein 60 kDa 0.0424 0.5596 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1821 0.3254
Brugia malayi MH2 domain containing protein 0.0144 0.1731 0.3093
Schistosoma mansoni cellular tumor antigen P53 0.0109 0.1239 0.2214
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0424 0.5596 0.5596
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0151 0.1821 0.3254
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0424 0.5596 1
Plasmodium vivax hypothetical protein, conserved 0.0424 0.5596 0.5
Schistosoma mansoni zinc finger protein 0.0151 0.1821 0.3254
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.1821 1
Echinococcus multilocularis ring and YY1 binding protein 0.0151 0.1821 0.1821
Onchocerca volvulus 0.0151 0.1821 0.1336
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0424 0.5596 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0151 0.1821 0.1336
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0569 0.1017
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.1821 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0424 0.5596 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0424 0.5596 0.5596
Schistosoma mansoni hypothetical protein 0.0424 0.5596 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0151 0.1821 0.1821
Schistosoma mansoni hypothetical protein 0.0151 0.1821 0.3254
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0151 0.1821 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1731 0.3093

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.