Detailed information for compound 155402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 490.558 | Formula: C25H30N8O3
  • H donors: 2 H acceptors: 8 LogP: 5.03 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(COc2ccc(cc2)Cc2nnn(n2)CCCCc2nnn[nH]2)ccc(c1O)C(=O)C
  • InChi: 1S/C25H30N8O3/c1-3-6-22-19(10-13-21(17(2)34)25(22)35)16-36-20-11-8-18(9-12-20)15-24-28-32-33(29-24)14-5-4-7-23-26-30-31-27-23/h8-13,35H,3-7,14-16H2,1-2H3,(H,26,27,30,31)
  • InChiKey: SHVOCOXHKWYMBA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 0.4472 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.1395 0.5
Leishmania major hypothetical protein, conserved 0.0102 0.1395 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0391 0.0874
Trypanosoma brucei PAB1-binding protein , putative 0.0102 0.1395 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0227 0.4472 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1395 0.1698
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.1395 1
Brugia malayi hypothetical protein 0.0066 0.0499 0.0182
Plasmodium vivax ataxin-2 like protein, putative 0.0102 0.1395 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0301 0.6306 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0227 0.4472 0.69
Mycobacterium tuberculosis Probable aminotransferase 0.045 1 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0064 0.0448 0.1003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0227 0.4472 1
Echinococcus granulosus GPCR family 2 0.0095 0.122 0.2727
Schistosoma mansoni hypothetical protein 0.0095 0.122 0.2727
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0301 0.6306 1
Echinococcus multilocularis ornithine aminotransferase 0.0064 0.0448 0.1003
Echinococcus multilocularis GPCR, family 2 0.0095 0.122 0.2727
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0095 0.122 0.2727
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0227 0.4472 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0095 0.122 0.1401
Loa Loa (eye worm) latrophilin receptor protein 2 0.0095 0.122 0.1401
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0064 0.0448 0.0097
Schistosoma mansoni hypothetical protein 0.0095 0.122 0.2727
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.045 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.3952 0.602
Brugia malayi latrophilin 2 splice variant baaae 0.0206 0.3952 0.602
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0095 0.122 0.2727
Brugia malayi Latrophilin receptor protein 2 0.0095 0.122 0.1401
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0391 0.0874
Echinococcus granulosus Aminotransferase class III 0.0064 0.0448 0.1003
Echinococcus multilocularis ornithine aminotransferase 0.0064 0.0448 0.1003
Echinococcus multilocularis Aminotransferase class III 0.0064 0.0448 0.1003
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0301 0.6306 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.122 0.1401
Schistosoma mansoni hypothetical protein 0.0206 0.3952 0.8836
Mycobacterium ulcerans hypothetical protein 0.045 1 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.045 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0102 0.1395 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0391 0.0874
Echinococcus granulosus ornithine aminotransferase 0.0064 0.0448 0.1003
Schistosoma mansoni hypothetical protein 0.0095 0.122 0.2727
Loa Loa (eye worm) hypothetical protein 0.0301 0.6306 1
Toxoplasma gondii LsmAD domain-containing protein 0.0102 0.1395 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0064 0.0448 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0227 0.4472 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0102 0.1395 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0391 0.0874
Brugia malayi hypothetical protein 0.0102 0.1395 0.1698
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0095 0.122 0.2727
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0227 0.4472 0.69
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.045 1 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.0391 0.0874
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 0.4472 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0391 0.0874
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0064 0.0448 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 0.4472 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0391 0.0874
Schistosoma mansoni hypothetical protein 0.0095 0.122 0.2727
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0095 0.122 0.2727

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 mg kg-1 Ability to block the LTD4 pressor response in pithed rats after intravenous administration; NT=Not tested (ED50 mg/Kg) ChEMBL. 1654427
ED50 (functional) = 4 mg kg-1 Ability to block the LTD4 pressor response in pithed rats after intravenous administration ChEMBL. 1654427
ED50 (functional) = 4 mg kg-1 Ability to block the LTD4 pressor response in pithed rats after intravenous administration ChEMBL. 1654427
pKB (functional) = 7.54 In vitro ability to antagonize LTD4-induced contractions of guinea pig ileum. ChEMBL. 1654427
pKB (functional) = 7.67 In vitro ability to antagonize LTD4-induced contractions of guinea pig ileum. ChEMBL. 1654427

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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