Detailed information for compound 1766190

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.549 | Formula: C24H31N7O
  • H donors: 3 H acceptors: 4 LogP: 3.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(c1nnnn1C(C)(C)C)c1ccc(cc1)C1NC(=O)c2c(N1)cccc2
  • InChi: 1S/C24H31N7O/c1-5-6-15-25-20(22-28-29-30-31(22)24(2,3)4)16-11-13-17(14-12-16)21-26-19-10-8-7-9-18(19)23(32)27-21/h7-14,20-21,25-26H,5-6,15H2,1-4H3,(H,27,32)
  • InChiKey: POAZCQCPMNOYDI-UHFFFAOYSA-N  

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
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.1299 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0464 0.3159 0.2359
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0464 0.3159 0.2359
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Leishmania major hypothetical protein, conserved 0.1299 1 0.5
Onchocerca volvulus 0.1299 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0 0.5
Giardia lamblia NADPH oxidoreductase, putative 0.0078 0 0.5
Echinococcus granulosus tissue type plasminogen activator 0.1299 1 1
Loa Loa (eye worm) hypothetical protein 0.0464 0.3159 0.2359
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0464 0.3159 0.2359
Brugia malayi Kringle domain containing protein 0.1299 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.1299 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Giardia lamblia NADPH oxidoreductase, putative 0.0078 0 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.1299 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1299 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1299 1 1
Onchocerca volvulus 0.0258 0.1476 0.0479
Toxoplasma gondii kringle domain-containing protein 0.1299 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Brugia malayi Trypsin family protein 0.0464 0.3159 0.2359
Plasmodium falciparum cysteine repeat modular protein 1 0.1299 1 0.5
Giardia lamblia NADPH oxidoreductase, putative 0.0078 0 0.5
Schistosoma mansoni hypothetical protein 0.1299 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0 0.5
Onchocerca volvulus 0.0464 0.3159 0.2359
Mycobacterium ulcerans hypothetical protein 0.0206 0.1046 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.59 uM Antileishmanial activity against promastigotes of Leishmania donovani MHOM/IN/60/Dd8 after 72 hrs by luciferase reporter gene assay ChEMBL. 23611626
IC50 (functional) > 40 uM Antileishmanial activity against amastigotes of Leishmania donovani MHOM/IN/60/Dd8 infected in mouse J-774A.1 cells after 72 hrs by luciferase reporter gene assay ChEMBL. 23611626

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania donovani ChEMBL23 23611626

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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