Detailed information for compound 1170123

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.547 | Formula: C25H31N5
  • H donors: 0 H acceptors: 2 LogP: 5.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(C)c(c2ccccc2)c(n2c1cc(n2)C(C)(C)C)N1CC[C@@H](C1)N(C)C
  • InChi: 1S/C25H31N5/c1-17-20(15-26)21-14-22(25(2,3)4)27-30(21)24(23(17)18-10-8-7-9-11-18)29-13-12-19(16-29)28(5)6/h7-11,14,19H,12-13,16H2,1-6H3/t19-/m0/s1
  • InChiKey: RCTFXJCQZMQXCS-IBGZPJMESA-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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0604 0.1713
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0604 0.1713
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1145 0.1145
Schistosoma mansoni hypothetical protein 0.0032 0.0604 0.0964
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1145 0.1827
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.003 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0741 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0604 0.0604
Echinococcus granulosus geminin 0.0164 0.6268 0.6268
Entamoeba histolytica hypothetical protein 0.0035 0.0741 1
Leishmania major hypothetical protein, conserved 0.0091 0.3155 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2174 0.6164
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.003 0.0085
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1145 0.3247
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1145 0.1827
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.3527 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.3527 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.003 0.0085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1145 0.1145
Trypanosoma cruzi hypothetical protein, conserved 0.0088 0.3011 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.6268 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.3527 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.003 0.0099
Schistosoma mansoni ap endonuclease 0.0018 0.003 0.0048
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.2174 0.6164
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.003 0.003
Entamoeba histolytica hypothetical protein 0.0035 0.0741 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0604 0.0604
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0741 0.1182
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0741 0.0741
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0604 0.1713
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.003 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.003 0.5
Echinococcus granulosus GPCR family 2 0.0032 0.0604 0.0604
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.003 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.003 1
Schistosoma mansoni hypothetical protein 0.0068 0.2174 0.3469
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.003 0.0095
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.003 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.003 0.0403
Echinococcus multilocularis geminin 0.0164 0.6268 0.6268
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0741 0.0741
Schistosoma mansoni hypothetical protein 0.0164 0.6268 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1145 0.3247
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.003 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.003 0.0099
Schistosoma mansoni hypothetical protein 0.0032 0.0604 0.0964
Schistosoma mansoni ap endonuclease 0.0018 0.003 0.0048
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.003 0.003
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0251 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.003 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0741 1
Schistosoma mansoni hypothetical protein 0.0032 0.0604 0.0964
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1145 0.1827
Echinococcus multilocularis GPCR, family 2 0.0032 0.0604 0.0604
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.01 0.3527 1
Schistosoma mansoni hypothetical protein 0.0032 0.0604 0.0964
Toxoplasma gondii exonuclease III APE 0.0018 0.003 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.003 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0604 0.0604
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1145 0.1145
Brugia malayi hypothetical protein 0.0035 0.0741 0.2101
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.1182
Loa Loa (eye worm) hypothetical protein 0.0032 0.0604 0.1713
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1145 0.1145

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae AY14 using alamar blue stain by microdilution assay ChEMBL. 20667743
MIC (functional) = 4 ug ml-1 Antimicrobial activity against Candida albicans ATCC 24433 using alamar blue stain by microdilution assay ChEMBL. 20667743

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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