Detailed information for compound 275030

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 444.529 | Formula: C25H28N6O2
  • H donors: 2 H acceptors: 6 LogP: 5.2 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)C(C)(C)C
  • InChi: 1S/C25H28N6O2/c1-5-8-20-26-22(25(2,3)4)21(24(32)33)31(20)15-16-11-13-17(14-12-16)18-9-6-7-10-19(18)23-27-29-30-28-23/h6-7,9-14H,5,8,15H2,1-4H3,(H,32,33)(H,27,28,29,30)
  • InChiKey: QOTGWYIZDANYJB-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 hypothetical protein 0.0357 0.1083 0.0507
Loa Loa (eye worm) hypothetical protein 0.0357 0.1083 0.1031
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0357 0.1083 0.2784
Brugia malayi Fibulin-1 precursor 0.0587 0.19 0.1852
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0357 0.1083 0.0507
Echinococcus granulosus protein jagged 1 0.0224 0.0607 0.1561
Echinococcus multilocularis fat cadherin tumor suppressor 0.0224 0.0607 0.1561
Echinococcus granulosus enteropeptidase 0.0357 0.1083 0.2784
Echinococcus granulosus neurogenic locus protein delta 0.0224 0.0607 0.1561
Toxoplasma gondii calcium binding egf domain-containing protein 0.0587 0.19 1
Brugia malayi Muscle positioning protein 4 0.0224 0.0607 0.0552
Echinococcus multilocularis neurogenic locus protein delta 0.0224 0.0607 0.1561
Schistosoma mansoni serine/threonine protein kinase 0.1164 0.3957 0.3566
Brugia malayi Calcium binding EGF domain containing protein 0.0224 0.0607 0.0552
Brugia malayi hypothetical protein 0.0357 0.1083 0.1031
Brugia malayi Trypsin-like protease protein 5 0.0357 0.1083 0.1031
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus granulosus protein jagged 2 0.0224 0.0607 0.1561
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Onchocerca volvulus 0.0537 0.1724 0.1189
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Echinococcus granulosus neurogenic locus notch protein 0.0224 0.0607 0.1561
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus granulosus slit 2 protein 0.0224 0.0607 0.1561
Loa Loa (eye worm) Notch2 0.0224 0.0607 0.0552
Echinococcus granulosus tissue type plasminogen activator 0.0537 0.1724 0.443
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0357 0.1083 0.2784
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0224 0.0607 0.0552
Echinococcus granulosus Tolloid protein 1 0.0587 0.19 0.4882
Echinococcus granulosus glutamate receptor 2 0.0065 0.0042 0.0107
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0357 0.1083 0.2784
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0587 0.19 0.1852
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Onchocerca volvulus 0.0357 0.1083 0.0507
Echinococcus granulosus protein jagged 1 0.0224 0.0607 0.1561
Loa Loa (eye worm) hypothetical protein 0.0357 0.1083 0.1031
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0357 0.1083 0.0507
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0357 0.1083 0.0507
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0357 0.1083 0.1031
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1146 0.3891 1
Echinococcus granulosus transmembrane protease serine 3 0.0357 0.1083 0.2784
Loa Loa (eye worm) hypothetical protein 0.0587 0.19 0.1852
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0587 0.19 0.1376
Brugia malayi Cadherin domain containing protein 0.0224 0.0607 0.0552
Echinococcus multilocularis protein jagged 2 0.0224 0.0607 0.1561
Echinococcus multilocularis Tolloid protein 1 0.0587 0.19 0.4882
Echinococcus multilocularis neural cadherin 0.0224 0.0607 0.1561
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Mycobacterium ulcerans hypothetical protein 0.0357 0.1083 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Echinococcus multilocularis protein jagged 1 0.0224 0.0607 0.1561
Echinococcus granulosus delta-like protein 1 0.0224 0.0607 0.1561
Schistosoma mansoni hypothetical protein 0.0357 0.1083 0.0507
Echinococcus granulosus glycoprotein Antigen 5 0.0357 0.1083 0.2784
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus granulosus laminin 0.0587 0.19 0.4882
Echinococcus granulosus neurogenic locus notch protein 4 0.0224 0.0607 0.1561
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Loa Loa (eye worm) notch protein 0.0224 0.0607 0.0552
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Echinococcus multilocularis notch 0.0224 0.0607 0.1561
Brugia malayi Kringle domain containing protein 0.0537 0.1724 0.1675
Echinococcus granulosus neurogenic locus notch protein 0.0224 0.0607 0.1561
Echinococcus granulosus neural cadherin 0.0224 0.0607 0.1561
Loa Loa (eye worm) hypothetical protein 0.1146 0.3891 0.3855
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Brugia malayi Calcium binding EGF domain containing protein 0.0224 0.0607 0.0552
Brugia malayi Cadherin domain containing protein 0.0224 0.0607 0.0552
Echinococcus multilocularis glutamate receptor 2 0.0075 0.0076 0.0195
Brugia malayi Trypsin family protein 0.0357 0.1083 0.1031
Plasmodium falciparum cysteine repeat modular protein 1 0.0537 0.1724 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Brugia malayi Protein kinase domain containing protein 0.1146 0.3891 0.3855
Echinococcus multilocularis neurogenic locus protein delta 0.0224 0.0607 0.1561
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Echinococcus multilocularis fibropellin Ia 0.0224 0.0607 0.1561
Brugia malayi Trypsin family protein 0.0357 0.1083 0.1031
Echinococcus granulosus Mastin 0.0357 0.1083 0.2784
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Brugia malayi Calcium binding EGF domain containing protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0587 0.19 0.1852
Echinococcus multilocularis fibrillin 1 0.0587 0.19 0.4882
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0075 0.0076 0.0195
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1146 0.3891 1
Echinococcus multilocularis laminin 0.0587 0.19 0.4882
Echinococcus multilocularis Mastin 0.0357 0.1083 0.2784
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0357 0.1083 0.0507
Giardia lamblia High cysteine protein 0.0224 0.0607 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0357 0.1083 0.0507
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0587 0.19 0.1852
Onchocerca volvulus 0.2861 1 1
Brugia malayi Trypsin family protein 0.0357 0.1083 0.1031
Loa Loa (eye worm) hypothetical protein 0.0587 0.19 0.1852
Brugia malayi Protein kinase domain containing protein 0.0556 0.179 0.1742
Schistosoma mansoni hypothetical protein 0.0537 0.1724 0.1189
Echinococcus multilocularis glycoprotein Antigen 5 0.0357 0.1083 0.2784
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus multilocularis glutamate receptor 2 0.0065 0.0042 0.0107
Onchocerca volvulus Arrow homolog 0.0587 0.19 0.1376
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0357 0.1083 0.1031
Loa Loa (eye worm) hypothetical protein 0.2861 1 1
Loa Loa (eye worm) hypothetical protein 0.0537 0.1724 0.1675
Loa Loa (eye worm) TK/ROR protein kinase 0.0556 0.179 0.1742
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0075 0.0076 0.0195
Toxoplasma gondii calcium binding egf domain-containing protein 0.0587 0.19 1
Brugia malayi Delta serrate ligand family protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.1146 0.3891 0.3855
Echinococcus multilocularis slit 2 protein 0.0224 0.0607 0.1561
Brugia malayi GCC2 and GCC3 family protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.1146 0.3891 0.3855
Loa Loa (eye worm) hypothetical protein 0.2861 1 1
Onchocerca volvulus 0.0357 0.1083 0.0507
Echinococcus granulosus glutamate receptor 2 0.0075 0.0076 0.0195
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.2861 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0587 0.19 0.1852
Echinococcus multilocularis neurogenic locus notch protein 4 0.0224 0.0607 0.1561
Echinococcus multilocularis neurogenic locus notch protein 0.0224 0.0607 0.1561
Echinococcus granulosus protein jagged 2 0.0224 0.0607 0.1561
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0357 0.1083 0.2784
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus multilocularis protein jagged 1 0.0224 0.0607 0.1561
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0357 0.1083 0.0507
Leishmania major hypothetical protein, conserved 0.0537 0.1724 0.5
Echinococcus multilocularis neurogenic locus notch protein 0.0224 0.0607 0.1561
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0587 0.19 0.1852
Schistosoma mansoni cercarial elastase (S01 family) 0.0357 0.1083 0.0507
Brugia malayi notch-like transmembrane receptor 0.0224 0.0607 0.0552
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0537 0.1724 0.5
Loa Loa (eye worm) hypothetical protein 0.0357 0.1083 0.1031
Echinococcus granulosus notch 0.0224 0.0607 0.1561
Loa Loa (eye worm) hypothetical protein 0.0587 0.19 0.1852
Schistosoma mansoni egf-like domain protein 0.0587 0.19 0.1376
Trypanosoma cruzi hypothetical protein, conserved 0.0537 0.1724 0.5
Loa Loa (eye worm) hypothetical protein 0.0357 0.1083 0.1031
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.2861 1 1
Toxoplasma gondii kringle domain-containing protein 0.0537 0.1724 0.8639
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0587 0.19 0.1852
Onchocerca volvulus 0.0357 0.1083 0.0507
Echinococcus multilocularis tissue type plasminogen activator 0.0537 0.1724 0.443
Echinococcus multilocularis glutamate receptor 2 0.007 0.0058 0.015
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Loa Loa (eye worm) hypothetical protein 0.0587 0.19 0.1852
Echinococcus multilocularis transmembrane protease serine 3 0.0357 0.1083 0.2784
Echinococcus multilocularis enteropeptidase 0.0357 0.1083 0.2784
Onchocerca volvulus 0.0357 0.1083 0.0507
Loa Loa (eye worm) trypsin family protein 0.0357 0.1083 0.1031
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Onchocerca volvulus 0.0357 0.1083 0.0507
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Echinococcus granulosus fibropellin Ia 0.0224 0.0607 0.1561
Loa Loa (eye worm) hypothetical protein 0.0224 0.0607 0.0552
Brugia malayi EGF-like domain containing protein 0.0224 0.0607 0.0552
Onchocerca volvulus 0.2504 0.8727 0.8645

Activities

Activity type Activity value Assay description Source Reference
ED30 (functional) = 0.35 mg kg-1 Oral antihypertensive potency expressed as effective dose that lowers the mean arterial blood pressure by 30 mm Hg in renal hypertensive rats 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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