Detailed information for compound 1791677

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 518.241 | Formula: C23H22Br2N2O2
  • H donors: 1 H acceptors: 0 LogP: 6.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1cccc(c1)OC
  • InChi: 1S/C23H22Br2N2O2/c1-28-18-5-3-4-17(12-18)26-13-19(29-2)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,19,26H,13-14H2,1-2H3
  • InChiKey: HEULICAEZQDWSU-UHFFFAOYSA-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
Echinococcus granulosus GPCR family 2 0.008 0.0607 0.1016
Echinococcus multilocularis geminin 0.0182 0.1776 0.2976
Brugia malayi RNA binding protein 0.0064 0.0419 0.0812
Onchocerca volvulus 0.0313 0.3293 0.5464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0197 0.0197
Toxoplasma gondii PLU-1 family protein 0.0046 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.2617 0.5075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0197 0.033
Loa Loa (eye worm) mbt repeat family protein 0.0287 0.2991 0.58
Schistosoma mansoni phd finger protein 0.0042 0.0164 0.0164
Schistosoma mansoni hypothetical protein 0.0182 0.1776 0.1776
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.0607 0.1016
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0197 0.033
Loa Loa (eye worm) hypothetical protein 0.0099 0.0825 0.16
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0419 0.0812
Schistosoma mansoni hypothetical protein 0.008 0.0607 0.0607
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1058 0.2052
Echinococcus multilocularis chromobox protein 2 0.0204 0.2039 0.3416
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0419 0.0812
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0099 0.0825 0.1382
Brugia malayi Latrophilin receptor protein 2 0.008 0.0607 0.1176
Loa Loa (eye worm) jmjC domain-containing protein 0.0142 0.1318 0.2556
Schistosoma mansoni sex comb on midleg homolog 0.0276 0.2862 0.2862
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0254 0.2617 0.5075
Echinococcus multilocularis polycomb protein SCMH1 0.0276 0.2862 0.4795
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0419 0.0701
Brugia malayi MH2 domain containing protein 0.012 0.1058 0.2052
Schistosoma mansoni jumonji/arid domain-containing protein 0.0096 0.0792 0.0792
Schistosoma mansoni hypothetical protein 0.0174 0.1686 0.1686
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0544 0.5968 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0118 0.1044 0.1749
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0339 0.3599 0.6031
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.0607 0.1176
Schistosoma mansoni sex comb on midleg homolog 0.0276 0.2862 0.2862
Mycobacterium ulcerans glutaminase 0.0282 0.294 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.1049 0.2034
Echinococcus multilocularis lysine specific demethylase 5A 0.008 0.0606 0.1015
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.0607 0.1016
Loa Loa (eye worm) hypothetical protein 0.008 0.0607 0.1176
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1058 0.2052
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0197 0.0382
Echinococcus granulosus lysine specific demethylase 5A 0.0096 0.0792 0.1326
Echinococcus multilocularis GPCR, family 2 0.008 0.0607 0.1016
Brugia malayi mbt repeat family protein 0.0287 0.2991 0.58
Loa Loa (eye worm) RNA binding protein 0.0064 0.0419 0.0812
Echinococcus granulosus SAM and MBT domain containing protein 0.0399 0.429 0.7188
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0118 0.1044 0.1749
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0099 0.0825 0.1382
Schistosoma mansoni hypothetical protein 0.008 0.0607 0.0607
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0419 0.0812
Echinococcus granulosus geminin 0.0182 0.1776 0.2976
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0197 0.0197
Echinococcus granulosus histone acetyltransferase MYST2 0.0099 0.0825 0.1382
Echinococcus granulosus histone acetyltransferase myst3 0.0042 0.0164 0.0276
Trichomonas vaginalis glutaminase, putative 0.0282 0.294 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0099 0.0825 0.0825
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0399 0.429 0.429
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0254 0.2617 0.5075
Echinococcus multilocularis histone acetyltransferase myst3 0.0042 0.0164 0.0276
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Loa Loa (eye worm) glutaminase 2 0.0282 0.294 0.5702
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0197 0.033
Schistosoma mansoni hypothetical protein 0.0339 0.3599 0.3599
Brugia malayi Calcitonin receptor-like protein seb-1 0.0254 0.2617 0.5075
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Loa Loa (eye worm) MBCTL1 0.0099 0.0825 0.16
Loa Loa (eye worm) glutaminase 0.0282 0.294 0.5702
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0197 0.0197
Schistosoma mansoni hypothetical protein 0.008 0.0607 0.0607
Brugia malayi jmjC domain containing protein 0.0142 0.1318 0.2556
Echinococcus granulosus polycomb protein SCMH1 0.0276 0.2862 0.4795
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0197 0.0382
Schistosoma mansoni hypothetical protein 0.0182 0.1776 0.1776
Loa Loa (eye worm) hypothetical protein 0.0474 0.5157 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0119 0.1049 0.2034
Schistosoma mansoni hypothetical protein 0.008 0.0607 0.0607
Schistosoma mansoni jumonji/arid domain-containing protein 0.0096 0.0792 0.0792
Brugia malayi TAR-binding protein 0.0064 0.0419 0.0812
Schistosoma mansoni chromobox protein 0.0204 0.2039 0.2039
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.0607 0.1016
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.1686 0.3271
Plasmodium vivax JmjC domain containing protein 0.003 0.0025 0.5
Brugia malayi mbt repeat family protein 0.0474 0.5157 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0197 0.033
Brugia malayi hypothetical protein 0.0119 0.1049 0.2034
Loa Loa (eye worm) hypothetical protein 0.0174 0.1686 0.3271
Echinococcus granulosus tar DNA binding protein 0.0064 0.0419 0.0701
Brugia malayi glutaminase DH11.1 0.0282 0.294 0.5702
Echinococcus granulosus chromobox protein 2 0.0204 0.2039 0.3416
Plasmodium falciparum JmjC domain-containing protein, putative 0.003 0.0025 0.5
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0339 0.3599 0.6031
Schistosoma mansoni glutaminase 0.0282 0.294 0.294
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0099 0.0825 0.16
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.0607 0.1016
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0544 0.5968 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0099 0.0825 0.1382
Echinococcus multilocularis SAM and MBT domain containing protein 0.0399 0.429 0.7188
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.0607 0.1176
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0474 0.5157 1

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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